N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide

C20H35N3O2 — CID 22893942

IUPACN-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)C1
InChIInChI=1S/C20H35N3O2/c1-22-14-8-9-16(15-22)19(24)23(18-12-6-3-7-13-18)20(25)21-17-10-4-2-5-11-17/h16-18H,2-15H2,1H3,(H,21,25)
InChIKeyRFNHJFDFOIZLDK-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.53
Rot. Bonds3

About N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide

N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide (PubChem CID 22893942) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide
PubChem CID22893942
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC NameN-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)C1
InChIInChI=1S/C20H35N3O2/c1-22-14-8-9-16(15-22)19(24)23(18-12-6-3-7-13-18)20(25)21-17-10-4-2-5-11-17/h16-18H,2-15H2,1H3,(H,21,25)
InChIKeyRFNHJFDFOIZLDK-UHFFFAOYSA-N
XLogP3.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate
CID 59918929
(3R)-N-cyclohexyl-1-methylpiperidine-3-carboxamide
CID 95183728
3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
CID 110874782
(3S)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459471
(3R)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459454
3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 115613492
3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 110837310
2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 63645788
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide (CID 22893942) is N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide is CN1CCCC(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is RFNHJFDFOIZLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-22-14-8-9-16(15-22)19(24)23(18-12-6-3-7-13-18)20(25)21-17-10-4-2-5-11-17/h16-18H,2-15H2,1H3,(H,21,25).
What are the key properties of N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide?
N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 22893942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).