N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one

C112H189N15O8S — CID 158824234

IUPACN-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one
SMILESCC(=O)N1CCN(C(C)C)C(c2ccccc2)C1.CC(C)N1CCC(C(=O)O)CC1.CC(C)N1CCCCC1c1ccccc1.CC(C)N1CCCCC1c1ccccc1.CC(C)N1CCN(C(=O)NC2CC2)CC1.CC(C)N1CCN(CCN(C)C)CC1.CC(C)N1CCN(S(C)(=O)=O)CC1c1ccccc1.CC(C)N1CCOCC1c1ccccc1.CCC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H22N2O.C14H22N2O2S.2C14H21N.C13H19NO.C11H21N3O.C11H25N3.C11H21NO.C9H17NO2/c1-12(2)17-10-9-16(13(3)18)11-15(17)14-7-5-4-6-8-14;1-12(2)16-10-9-15(19(3,17)18)11-14(16)13-7-5-4-6-8-13;2*1-12(2)15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-11(2)14-8-9-15-10-13(14)12-6-4-3-5-7-12;1-9(2)13-5-7-14(8-6-13)11(15)12-10-3-4-10;1-11(2)14-9-7-13(8-10-14)6-5-12(3)4;1-4-11(13)10-5-7-12(8-6-10)9(2)3;1-7(2)10-5-3-8(4-6-10)9(11)12/h4-8,12,15H,9-11H2,1-3H3;4-8,12,14H,9-11H2,1-3H3;2*3-5,8-9,12,14H,6-7,10-11H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,15);11H,5-10H2,1-4H3;9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyIWGGCCWDMLRNCY-UHFFFAOYSA-N
MW1905.91 g/mol
LogP18.46
Rot. Bonds22

About N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one

N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one (PubChem CID 158824234) has the molecular formula C112H189N15O8S and a molecular weight of 1905.91 g/mol. Its IUPAC name is N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound NameN-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one
PubChem CID158824234
Molecular FormulaC112H189N15O8S
Molecular Weight1905.91 g/mol
Exact Mass1904.46
IUPAC NameN-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one
SMILESCC(=O)N1CCN(C(C)C)C(c2ccccc2)C1.CC(C)N1CCC(C(=O)O)CC1.CC(C)N1CCCCC1c1ccccc1.CC(C)N1CCCCC1c1ccccc1.CC(C)N1CCN(C(=O)NC2CC2)CC1.CC(C)N1CCN(CCN(C)C)CC1.CC(C)N1CCN(S(C)(=O)=O)CC1c1ccccc1.CC(C)N1CCOCC1c1ccccc1.CCC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H22N2O.C14H22N2O2S.2C14H21N.C13H19NO.C11H21N3O.C11H25N3.C11H21NO.C9H17NO2/c1-12(2)17-10-9-16(13(3)18)11-15(17)14-7-5-4-6-8-14;1-12(2)16-10-9-15(19(3,17)18)11-14(16)13-7-5-4-6-8-13;2*1-12(2)15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-11(2)14-8-9-15-10-13(14)12-6-4-3-5-7-12;1-9(2)13-5-7-14(8-6-13)11(15)12-10-3-4-10;1-11(2)14-9-7-13(8-10-14)6-5-12(3)4;1-4-11(13)10-5-7-12(8-6-10)9(2)3;1-7(2)10-5-3-8(4-6-10)9(11)12/h4-8,12,15H,9-11H2,1-3H3;4-8,12,14H,9-11H2,1-3H3;2*3-5,8-9,12,14H,6-7,10-11H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,15);11H,5-10H2,1-4H3;9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyIWGGCCWDMLRNCY-UHFFFAOYSA-N
XLogP18.46
TPSA189.27 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001905.91
LogP ≤ 518.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one?
The IUPAC name of N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one (CID 158824234) is N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one?
The canonical SMILES for N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one is CC(=O)N1CCN(C(C)C)C(c2ccccc2)C1.CC(C)N1CCC(C(=O)O)CC1.CC(C)N1CCCCC1c1ccccc1.CC(C)N1CCCCC1c1ccccc1.CC(C)N1CCN(C(=O)NC2CC2)CC1.CC(C)N1CCN(CCN(C)C)CC1.CC(C)N1CCN(S(C)(=O)=O)CC1c1ccccc1.CC(C)N1CCOCC1c1ccccc1.CCC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one?
The InChIKey is IWGGCCWDMLRNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C14H22N2O2S.2C14H21N.C13H19NO.C11H21N3O.C11H25N3.C11H21NO.C9H17NO2/c1-12(2)17-10-9-16(13(3)18)11-15(17)14-7-5-4-6-8-14;1-12(2)16-10-9-15(19(3,17)18)11-14(16)13-7-5-4-6-8-13;2*1-12(2)15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-11(2)14-8-9-15-10-13(14)12-6-4-3-5-7-12;1-9(2)13-5-7-14(8-6-13)11(15)12-10-3-4-10;1-11(2)14-9-7-13(8-10-14)6-5-12(3)4;1-4-11(13)10-5-7-12(8-6-10)9(2)3;1-7(2)10-5-3-8(4-6-10)9(11)12/h4-8,12,15H,9-11H2,1-3H3;4-8,12,14H,9-11H2,1-3H3;2*3-5,8-9,12,14H,6-7,10-11H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,15);11H,5-10H2,1-4H3;9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one?
N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one has a molecular weight of 1905.91 g/mol, XLogP of 18.46, 22 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-methylsulfonyl-2-phenyl-1-propan-2-ylpiperazine;3-phenyl-4-propan-2-ylmorpholine;1-(3-phenyl-4-propan-2-ylpiperazin-1-yl)ethanone;bis(2-phenyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine-4-carboxylic acid;1-(1-propan-2-ylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 158824234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).