4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide

C16H31N3O2 — CID 83268946

IUPAC4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCC2CCCCC2CO)CC1
InChIInChI=1S/C16H31N3O2/c1-18(2)16(21)19-9-7-15(8-10-19)17-11-13-5-3-4-6-14(13)12-20/h13-15,17,20H,3-12H2,1-2H3
InChIKeyVOSOMZOPUZRPNR-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.52
Rot. Bonds4

About 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide

4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83268946) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83268946
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCC2CCCCC2CO)CC1
InChIInChI=1S/C16H31N3O2/c1-18(2)16(21)19-9-7-15(8-10-19)17-11-13-5-3-4-6-14(13)12-20/h13-15,17,20H,3-12H2,1-2H3
InChIKeyVOSOMZOPUZRPNR-UHFFFAOYSA-N
XLogP1.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxamide
CID 83262363
N,N-dimethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
CID 129000271
4-[(3-hydroxycyclobutyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83261087
N,N-dimethyl-4-(oxan-4-ylmethylamino)piperidine-1-carboxamide
CID 83202827
4-(cyclohexylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83199527
N,N-dimethyl-4-[(1-methylcyclohexyl)methylamino]piperidine-1-carboxamide
CID 103912850
4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 103912870
N,N-dimethyl-4-(oxan-3-ylmethylamino)piperidine-1-carboxamide
CID 83202568
methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 83224585
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83190034

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide (CID 83268946) is 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(NCC2CCCCC2CO)CC1.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is VOSOMZOPUZRPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-18(2)16(21)19-9-7-15(8-10-19)17-11-13-5-3-4-6-14(13)12-20/h13-15,17,20H,3-12H2,1-2H3.
What are the key properties of 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide?
4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83268946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).