4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide

C16H31N3O — CID 83201910

IUPAC4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NC2CCC(C)(C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-16(2)9-5-13(6-10-16)17-14-7-11-19(12-8-14)15(20)18(3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyQESLTIZMYGMZIB-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.69
Rot. Bonds2

About 4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide

4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83201910) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83201910
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NC2CCC(C)(C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-16(2)9-5-13(6-10-16)17-14-7-11-19(12-8-14)15(20)18(3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyQESLTIZMYGMZIB-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide (CID 83201910) is 4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(NC2CCC(C)(C)CC2)CC1.
What is the InChIKey of 4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is QESLTIZMYGMZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(2)9-5-13(6-10-16)17-14-7-11-19(12-8-14)15(20)18(3)4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83201910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).