N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide

C19H35N3O — CID 60601133

IUPACN-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC2CCN(CC3CCCCC3)CC2)C1
InChIInChI=1S/C19H35N3O/c1-16-6-5-11-22(14-16)19(23)20-18-9-12-21(13-10-18)15-17-7-3-2-4-8-17/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyCETCGRWEQGFKQW-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.47
Rot. Bonds3

About N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide

N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide (PubChem CID 60601133) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
PubChem CID60601133
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC2CCN(CC3CCCCC3)CC2)C1
InChIInChI=1S/C19H35N3O/c1-16-6-5-11-22(14-16)19(23)20-18-9-12-21(13-10-18)15-17-7-3-2-4-8-17/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyCETCGRWEQGFKQW-UHFFFAOYSA-N
XLogP3.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60600680
(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 100671853
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71867658
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide
CID 111508901
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60606505
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
3-(hydroxymethyl)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 110894815
3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
CID 111508115
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
N-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propanamide
CID 175621352
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide (CID 60601133) is N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NC2CCN(CC3CCCCC3)CC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide?
The InChIKey is CETCGRWEQGFKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-16-6-5-11-22(14-16)19(23)20-18-9-12-21(13-10-18)15-17-7-3-2-4-8-17/h16-18H,2-15H2,1H3,(H,20,23).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide?
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide has a molecular weight of 321.51 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 60601133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).