N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide

C17H32N2O2 — CID 63132987

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NC2(CO)CCCC(C)C2)CCCNC1
InChIInChI=1S/C17H32N2O2/c1-3-7-16(8-5-10-18-12-16)15(21)19-17(13-20)9-4-6-14(2)11-17/h14,18,20H,3-13H2,1-2H3,(H,19,21)
InChIKeyAWGCLDPFUNGIMX-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.21
Rot. Bonds5

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide (PubChem CID 63132987) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide
PubChem CID63132987
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NC2(CO)CCCC(C)C2)CCCNC1
InChIInChI=1S/C17H32N2O2/c1-3-7-16(8-5-10-18-12-16)15(21)19-17(13-20)9-4-6-14(2)11-17/h14,18,20H,3-13H2,1-2H3,(H,19,21)
InChIKeyAWGCLDPFUNGIMX-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813514
(4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone
CID 116569810
1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82763836
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide
CID 63130418
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-piperidin-3-ylacetamide
CID 62674573
N-(4-hydroxypentan-2-yl)-3-propylpiperidine-3-carboxamide
CID 113376268
(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107836459
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide (CID 63132987) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NC2(CO)CCCC(C)C2)CCCNC1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide?
The InChIKey is AWGCLDPFUNGIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-7-16(8-5-10-18-12-16)15(21)19-17(13-20)9-4-6-14(2)11-17/h14,18,20H,3-13H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63132987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).