1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide

C13H24N2O3 — CID 164636283

IUPAC1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide
SMILESCC(C)[C@@H](C)CC(=O)N1CCC(O)(C(N)=O)CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)10(3)8-11(16)15-6-4-13(18,5-7-15)12(14)17/h9-10,18H,4-8H2,1-3H3,(H2,14,17)/t10-/m0/s1
InChIKeyGIYHUSJRUJMQJR-JTQLQIEISA-N
MW256.35 g/mol
LogP0.51
Rot. Bonds4

About 1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide

1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide (PubChem CID 164636283) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide
PubChem CID164636283
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide
SMILESCC(C)[C@@H](C)CC(=O)N1CCC(O)(C(N)=O)CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)10(3)8-11(16)15-6-4-13(18,5-7-15)12(14)17/h9-10,18H,4-8H2,1-3H3,(H2,14,17)/t10-/m0/s1
InChIKeyGIYHUSJRUJMQJR-JTQLQIEISA-N
XLogP0.51
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylpentanoyl)-4-hydroxypiperidine-4-carboxamide
CID 136545053
3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119546978
1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one
CID 119596793
1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide
CID 126979743
1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide
CID 138029837
(3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide
CID 90230566
3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580841
3-(4-hydroxy-4-propan-2-ylazepan-1-yl)-3-oxopropanamide
CID 58456130
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one
CID 103355978
4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one
CID 81079240
3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one
CID 107220182
1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide
CID 130538433

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide (CID 164636283) is 1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide is CC(C)[C@@H](C)CC(=O)N1CCC(O)(C(N)=O)CC1.
What is the InChIKey of 1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide?
The InChIKey is GIYHUSJRUJMQJR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)10(3)8-11(16)15-6-4-13(18,5-7-15)12(14)17/h9-10,18H,4-8H2,1-3H3,(H2,14,17)/t10-/m0/s1.
What are the key properties of 1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide?
1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3,4-dimethylpentanoyl]-4-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 164636283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).