N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea

C63H128N8O3 — CID 159988033

IUPACN,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea
SMILESCC(=O)N(C)C1CCC(C(C)C)CC1.CC(C)C1CCC(N(C)C(=O)N(C)C)CC1.CC(C)C1CCN(C(=O)N(C)C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1
InChIInChI=1S/C13H26N2O.C12H23NO.C11H22N2O.3C9H19N/c1-10(2)11-6-8-12(9-7-11)15(5)13(16)14(3)4;1-9(2)11-5-7-12(8-6-11)13(4)10(3)14;1-9(2)10-5-7-13(8-6-10)11(14)12(3)4;3*1-8(2)9-4-6-10(3)7-5-9/h10-12H,6-9H2,1-5H3;9,11-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;3*8-9H,4-7H2,1-3H3
InChIKeyOGOVUKSOVSEWAD-UHFFFAOYSA-N
MW1045.77 g/mol
LogP13.48
Rot. Bonds8

About N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea

N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea (PubChem CID 159988033) has the molecular formula C63H128N8O3 and a molecular weight of 1045.77 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea
PubChem CID159988033
Molecular FormulaC63H128N8O3
Molecular Weight1045.77 g/mol
Exact Mass1045.01
IUPAC NameN,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea
SMILESCC(=O)N(C)C1CCC(C(C)C)CC1.CC(C)C1CCC(N(C)C(=O)N(C)C)CC1.CC(C)C1CCN(C(=O)N(C)C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1
InChIInChI=1S/C13H26N2O.C12H23NO.C11H22N2O.3C9H19N/c1-10(2)11-6-8-12(9-7-11)15(5)13(16)14(3)4;1-9(2)11-5-7-12(8-6-11)13(4)10(3)14;1-9(2)10-5-7-13(8-6-10)11(14)12(3)4;3*1-8(2)9-4-6-10(3)7-5-9/h10-12H,6-9H2,1-5H3;9,11-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;3*8-9H,4-7H2,1-3H3
InChIKeyOGOVUKSOVSEWAD-UHFFFAOYSA-N
XLogP13.48
TPSA77.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.77
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea with MolForge

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Related Compounds

N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide
CID 129290550
4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
CID 68806542
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)
CID 159886924
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
ethane;4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 177000200
ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
CID 155739583
1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea
CID 143486621
4-(1-cyclopropylethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83198312
2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682804

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea?
The IUPAC name of N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea (CID 159988033) is N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea is CC(=O)N(C)C1CCC(C(C)C)CC1.CC(C)C1CCC(N(C)C(=O)N(C)C)CC1.CC(C)C1CCN(C(=O)N(C)C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea?
The InChIKey is OGOVUKSOVSEWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C12H23NO.C11H22N2O.3C9H19N/c1-10(2)11-6-8-12(9-7-11)15(5)13(16)14(3)4;1-9(2)11-5-7-12(8-6-11)13(4)10(3)14;1-9(2)10-5-7-13(8-6-10)11(14)12(3)4;3*1-8(2)9-4-6-10(3)7-5-9/h10-12H,6-9H2,1-5H3;9,11-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;3*8-9H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea?
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea has a molecular weight of 1045.77 g/mol, XLogP of 13.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N-(4-propan-2-ylcyclohexyl)acetamide;tris(1-methyl-4-propan-2-ylpiperidine);1,1,3-trimethyl-3-(4-propan-2-ylcyclohexyl)urea is sourced from PubChem (CID 159988033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).