tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine

C105H185ClN12O6 — CID 160644330

IUPACtert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine
SMILESC=C(NC(C)(C)C)C(C)C.C=C(NC(C)(C)C)C1CCC(C)CC1.C=C(NC(C)(C)C)C1CCCC1.C=C(NC(C)(C)C)C1CCCNC1.C=C(NC(C)(C)C)c1ccccc1.CC(C)(C)NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.CC(C)(C)NC(=O)Cc1ccccc1.CC(C)(C)NC(=O)c1ccc(Cl)cc1.CN1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3.C13H25N.C12H17NO.C12H17N.C11H14ClNO.C11H22N2O.C11H22N2.C11H21N.C9H19N/c1-14(2,3)16-12(18)11-8-7-9-17(10-11)13(19)20-15(4,5)6;1-10-6-8-12(9-7-10)11(2)14-13(3,4)5;1-12(2,3)13-11(14)9-10-7-5-4-6-8-10;1-10(13-12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)13-10(14)8-4-6-9(12)7-5-8;1-11(2,3)12-10(14)9-5-7-13(4)8-6-9;1-9(13-11(2,3)4)10-6-5-7-12-8-10;1-9(12-11(2,3)4)10-7-5-6-8-10;1-7(2)8(3)10-9(4,5)6/h11H,7-10H2,1-6H3,(H,16,18);10,12,14H,2,6-9H2,1,3-5H3;4-8H,9H2,1-3H3,(H,13,14);5-9,13H,1H2,2-4H3;4-7H,1-3H3,(H,13,14);9H,5-8H2,1-4H3,(H,12,14);10,12-13H,1,5-8H2,2-4H3;10,12H,1,5-8H2,2-4H3;7,10H,3H2,1-2,4-6H3
InChIKeyRJOXBEXWRGODFO-UHFFFAOYSA-N
MW1747.17 g/mol
LogP23.07
Rot. Bonds15

About tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine

tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine (PubChem CID 160644330) has the molecular formula C105H185ClN12O6 and a molecular weight of 1747.17 g/mol. Its IUPAC name is tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine.

Molecular Properties

Compound Nametert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine
PubChem CID160644330
Molecular FormulaC105H185ClN12O6
Molecular Weight1747.17 g/mol
Exact Mass1745.42
IUPAC Nametert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine
SMILESC=C(NC(C)(C)C)C(C)C.C=C(NC(C)(C)C)C1CCC(C)CC1.C=C(NC(C)(C)C)C1CCCC1.C=C(NC(C)(C)C)C1CCCNC1.C=C(NC(C)(C)C)c1ccccc1.CC(C)(C)NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.CC(C)(C)NC(=O)Cc1ccccc1.CC(C)(C)NC(=O)c1ccc(Cl)cc1.CN1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3.C13H25N.C12H17NO.C12H17N.C11H14ClNO.C11H22N2O.C11H22N2.C11H21N.C9H19N/c1-14(2,3)16-12(18)11-8-7-9-17(10-11)13(19)20-15(4,5)6;1-10-6-8-12(9-7-10)11(2)14-13(3,4)5;1-12(2,3)13-11(14)9-10-7-5-4-6-8-10;1-10(13-12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)13-10(14)8-4-6-9(12)7-5-8;1-11(2,3)12-10(14)9-5-7-13(4)8-6-9;1-9(13-11(2,3)4)10-6-5-7-12-8-10;1-9(12-11(2,3)4)10-7-5-6-8-10;1-7(2)8(3)10-9(4,5)6/h11H,7-10H2,1-6H3,(H,16,18);10,12,14H,2,6-9H2,1,3-5H3;4-8H,9H2,1-3H3,(H,13,14);5-9,13H,1H2,2-4H3;4-7H,1-3H3,(H,13,14);9H,5-8H2,1-4H3,(H,12,14);10,12-13H,1,5-8H2,2-4H3;10,12H,1,5-8H2,2-4H3;7,10H,3H2,1-2,4-6H3
InChIKeyRJOXBEXWRGODFO-UHFFFAOYSA-N
XLogP23.07
TPSA221.36 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001747.17
LogP ≤ 523.07
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Analyze tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine?
The IUPAC name of tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine (CID 160644330) is tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine.
What is the SMILES notation for tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine?
The canonical SMILES for tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine is C=C(NC(C)(C)C)C(C)C.C=C(NC(C)(C)C)C1CCC(C)CC1.C=C(NC(C)(C)C)C1CCCC1.C=C(NC(C)(C)C)C1CCCNC1.C=C(NC(C)(C)C)c1ccccc1.CC(C)(C)NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.CC(C)(C)NC(=O)Cc1ccccc1.CC(C)(C)NC(=O)c1ccc(Cl)cc1.CN1CCC(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine?
The InChIKey is RJOXBEXWRGODFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3.C13H25N.C12H17NO.C12H17N.C11H14ClNO.C11H22N2O.C11H22N2.C11H21N.C9H19N/c1-14(2,3)16-12(18)11-8-7-9-17(10-11)13(19)20-15(4,5)6;1-10-6-8-12(9-7-10)11(2)14-13(3,4)5;1-12(2,3)13-11(14)9-10-7-5-4-6-8-10;1-10(13-12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)13-10(14)8-4-6-9(12)7-5-8;1-11(2,3)12-10(14)9-5-7-13(4)8-6-9;1-9(13-11(2,3)4)10-6-5-7-12-8-10;1-9(12-11(2,3)4)10-7-5-6-8-10;1-7(2)8(3)10-9(4,5)6/h11H,7-10H2,1-6H3,(H,16,18);10,12,14H,2,6-9H2,1,3-5H3;4-8H,9H2,1-3H3,(H,13,14);5-9,13H,1H2,2-4H3;4-7H,1-3H3,(H,13,14);9H,5-8H2,1-4H3,(H,12,14);10,12-13H,1,5-8H2,2-4H3;10,12H,1,5-8H2,2-4H3;7,10H,3H2,1-2,4-6H3.
What are the key properties of tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine?
tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine has a molecular weight of 1747.17 g/mol, XLogP of 23.07, 15 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine is sourced from PubChem (CID 160644330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).