3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide

C12H24N2O2 — CID 110882593

IUPAC3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
SMILESCC(C)C(C)NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)10(3)13-12(16)14-6-4-5-11(7-14)8-15/h9-11,15H,4-8H2,1-3H3,(H,13,16)
InChIKeyUNQPRFBYZSZDLZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.44
Rot. Bonds3

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

3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide (PubChem CID 110882593) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
PubChem CID110882593
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
SMILESCC(C)C(C)NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)10(3)13-12(16)14-6-4-5-11(7-14)8-15/h9-11,15H,4-8H2,1-3H3,(H,13,16)
InChIKeyUNQPRFBYZSZDLZ-UHFFFAOYSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 79010038
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927647
(3S)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969414
(3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide
CID 100857700
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
(3S)-N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97038211
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
(3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97012359
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
1-[3-(hydroxymethyl)piperidin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107023266
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide (CID 110882593) is 3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide is CC(C)C(C)NC(=O)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide?
The InChIKey is UNQPRFBYZSZDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)10(3)13-12(16)14-6-4-5-11(7-14)8-15/h9-11,15H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 110882593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).