N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide

C17H32N2O2 — CID 81048870

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide
SMILESCC1CCC(CO)(NC(=O)CC(C)C2CCCNC2)CC1
InChIInChI=1S/C17H32N2O2/c1-13-5-7-17(12-20,8-6-13)19-16(21)10-14(2)15-4-3-9-18-11-15/h13-15,18,20H,3-12H2,1-2H3,(H,19,21)
InChIKeyOEUMKNDVSKYWPY-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.07
Rot. Bonds5

About N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide

N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide (PubChem CID 81048870) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide
PubChem CID81048870
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide
SMILESCC1CCC(CO)(NC(=O)CC(C)C2CCCNC2)CC1
InChIInChI=1S/C17H32N2O2/c1-13-5-7-17(12-20,8-6-13)19-16(21)10-14(2)15-4-3-9-18-11-15/h13-15,18,20H,3-12H2,1-2H3,(H,19,21)
InChIKeyOEUMKNDVSKYWPY-UHFFFAOYSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate
CID 119704584
3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 62553215
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-piperidin-3-ylbutanoic acid
CID 71691534
N-[1-(4-fluorophenyl)cyclopentyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119752707
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119784945
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 107824927
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119830098

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide (CID 81048870) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide is CC1CCC(CO)(NC(=O)CC(C)C2CCCNC2)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide?
The InChIKey is OEUMKNDVSKYWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13-5-7-17(12-20,8-6-13)19-16(21)10-14(2)15-4-3-9-18-11-15/h13-15,18,20H,3-12H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide has a molecular weight of 296.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81048870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).