N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide

C13H24N2O3 — CID 111429215

IUPACN-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCCC(C)O)C1
InChIInChI=1S/C13H24N2O3/c1-3-12(17)15-8-4-5-11(9-15)13(18)14-7-6-10(2)16/h10-11,16H,3-9H2,1-2H3,(H,14,18)
InChIKeyVEXHDHLQDYEQOF-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.52
Rot. Bonds5

About N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide

N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 111429215) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
PubChem CID111429215
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCCC(C)O)C1
InChIInChI=1S/C13H24N2O3/c1-3-12(17)15-8-4-5-11(9-15)13(18)14-7-6-10(2)16/h10-11,16H,3-9H2,1-2H3,(H,14,18)
InChIKeyVEXHDHLQDYEQOF-UHFFFAOYSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 120831196
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 111460809
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745
(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107833948
4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107831751
(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834670
(3R)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-1-propanoylpiperidine-3-carboxamide
CID 95783277
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide
CID 126829314

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide (CID 111429215) is N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)NCCC(C)O)C1.
What is the InChIKey of N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is VEXHDHLQDYEQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-12(17)15-8-4-5-11(9-15)13(18)14-7-6-10(2)16/h10-11,16H,3-9H2,1-2H3,(H,14,18).
What are the key properties of N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide?
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 111429215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).