N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide

C17H32N2O2 — CID 111414506

IUPACN-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(CCC1CCCCC1)NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C17H32N2O2/c1-14(9-10-15-6-3-2-4-7-15)18-17(21)19-11-5-8-16(12-19)13-20/h14-16,20H,2-13H2,1H3,(H,18,21)
InChIKeyKUWBWRMMVVWCBQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.15
Rot. Bonds5

About N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide

N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 111414506) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID111414506
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(CCC1CCCCC1)NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C17H32N2O2/c1-14(9-10-15-6-3-2-4-7-15)18-17(21)19-11-5-8-16(12-19)13-20/h14-16,20H,2-13H2,1H3,(H,18,21)
InChIKeyKUWBWRMMVVWCBQ-UHFFFAOYSA-N
XLogP3.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
(3S)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969414
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 79010038
(3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide
CID 100857700
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927647
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
2-[[1-(4-cyclohexylbutan-2-ylcarbamoyl)azepan-4-yl]-methylamino]acetic acid
CID 122002488
(3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97038211
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 111439039
3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 111444197

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 111414506) is N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide is CC(CCC1CCCCC1)NC(=O)N1CCCC(CO)C1.
What is the InChIKey of N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is KUWBWRMMVVWCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(9-10-15-6-3-2-4-7-15)18-17(21)19-11-5-8-16(12-19)13-20/h14-16,20H,2-13H2,1H3,(H,18,21).
What are the key properties of N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111414506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).