N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide

C16H24N2O2 — CID 119326534

IUPACN-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide
SMILESO=C(NCC(CCO)c1ccccc1)C1CCCNC1
InChIInChI=1S/C16H24N2O2/c19-10-8-14(13-5-2-1-3-6-13)12-18-16(20)15-7-4-9-17-11-15/h1-3,5-6,14-15,17,19H,4,7-12H2,(H,18,20)
InChIKeyIYHSJRBBIJTNMG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.27
Rot. Bonds6

About N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide

N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide (PubChem CID 119326534) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide
PubChem CID119326534
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide
SMILESO=C(NCC(CCO)c1ccccc1)C1CCCNC1
InChIInChI=1S/C16H24N2O2/c19-10-8-14(13-5-2-1-3-6-13)12-18-16(20)15-7-4-9-17-11-15/h1-3,5-6,14-15,17,19H,4,7-12H2,(H,18,20)
InChIKeyIYHSJRBBIJTNMG-UHFFFAOYSA-N
XLogP1.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide
CID 129467437
N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide
CID 119294119
N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
CID 97054329
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 124589589
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 154759784
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide (CID 119326534) is N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide is O=C(NCC(CCO)c1ccccc1)C1CCCNC1.
What is the InChIKey of N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide?
The InChIKey is IYHSJRBBIJTNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-10-8-14(13-5-2-1-3-6-13)12-18-16(20)15-7-4-9-17-11-15/h1-3,5-6,14-15,17,19H,4,7-12H2,(H,18,20).
What are the key properties of N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide?
N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 119326534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).