4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide

C16H24N2O2 — CID 3062957

IUPAC4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide
SMILESNC(=O)C(CN1CCCCC1)C(CO)c1ccccc1
InChIInChI=1S/C16H24N2O2/c17-16(20)14(11-18-9-5-2-6-10-18)15(12-19)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,19H,2,5-6,9-12H2,(H2,17,20)
InChIKeyHCYMOSKFVVCASV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.35
Rot. Bonds6

About 4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide

4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide (PubChem CID 3062957) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide
PubChem CID3062957
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide
SMILESNC(=O)C(CN1CCCCC1)C(CO)c1ccccc1
InChIInChI=1S/C16H24N2O2/c17-16(20)14(11-18-9-5-2-6-10-18)15(12-19)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,19H,2,5-6,9-12H2,(H2,17,20)
InChIKeyHCYMOSKFVVCASV-UHFFFAOYSA-N
XLogP1.35
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Carperidine
CID 24149
4-Morpholinepropanamide, alpha-(2-hydroxy-1-phenylethyl)-
CID 3062956
1-Pyrrolidinepropanamide, alpha-(2-hydroxy-1-phenylethyl)-
CID 3062962
1-{4-[(3S,4S)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]piperidino}-4-phenyl-1-butanone
CID 91921192
9-(Hydroxymethyl)-5-(4-phenylbutanoyl)-1,5-diazacycloundecan-2-one
CID 110201492
9-(Hydroxymethyl)-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
CID 110201499
N-(3-hydroxy-1-hydroxymethyl-3-phenylpropyl)dodecamide
CID 129711837
1-[4-(3-Hydroxypropyl)piperidin-1-yl]-2-(3-phenylcyclobutyl)ethanone
CID 121536418
N,N-diethyl-4-hydroxy-3-(4-phenylphenyl)butanamide
CID 122194660
(3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 11858102
(3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 143059702
N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide
CID 143845949

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide?
The IUPAC name of 4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide (CID 3062957) is 4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide.
What is the SMILES notation for 4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide?
The canonical SMILES for 4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide is NC(=O)C(CN1CCCCC1)C(CO)c1ccccc1.
What is the InChIKey of 4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide?
The InChIKey is HCYMOSKFVVCASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-16(20)14(11-18-9-5-2-6-10-18)15(12-19)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,19H,2,5-6,9-12H2,(H2,17,20).
What are the key properties of 4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide?
4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide has a molecular weight of 276.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-2-(piperidin-1-ylmethyl)butanamide is sourced from PubChem (CID 3062957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).