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

C17H32N2O2 — CID 111722585

IUPACN-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(CO)CC1)C(C)C1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-13(16-6-4-3-5-7-16)14(2)18-17(21)19-10-8-15(12-20)9-11-19/h13-16,20H,3-12H2,1-2H3,(H,18,21)
InChIKeyFHKVQIXGEGHZMD-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.01
Rot. Bonds4

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

N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 111722585) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID111722585
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC NameN-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(CO)CC1)C(C)C1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-13(16-6-4-3-5-7-16)14(2)18-17(21)19-10-8-15(12-20)9-11-19/h13-16,20H,3-12H2,1-2H3,(H,18,21)
InChIKeyFHKVQIXGEGHZMD-UHFFFAOYSA-N
XLogP3.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclohexylethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111507122
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
4-(hydroxymethyl)-N-(6-methylheptan-2-yl)piperidine-1-carboxamide
CID 110894480
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
4-(hydroxymethyl)-N-methylazepane-1-carboxamide
CID 130892258
4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide
CID 84601030
4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506
N-cyclohexyl-4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 50977190

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 111722585) is N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide is CC(NC(=O)N1CCC(CO)CC1)C(C)C1CCCCC1.
What is the InChIKey of N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is FHKVQIXGEGHZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(16-6-4-3-5-7-16)14(2)18-17(21)19-10-8-15(12-20)9-11-19/h13-16,20H,3-12H2,1-2H3,(H,18,21).
What are the key properties of N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide?
N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111722585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).