3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide

C18H28N2O2 — CID 111456099

IUPAC3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
SMILESCCC1CCCN(C(=O)NC(CCCO)c2ccccc2)C1
InChIInChI=1S/C18H28N2O2/c1-2-15-8-6-12-20(14-15)18(22)19-17(11-7-13-21)16-9-4-3-5-10-16/h3-5,9-10,15,17,21H,2,6-8,11-14H2,1H3,(H,19,22)
InChIKeyWLJFAHWDMUBWSZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.33
Rot. Bonds6

About 3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide

3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide (PubChem CID 111456099) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
PubChem CID111456099
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
SMILESCCC1CCCN(C(=O)NC(CCCO)c2ccccc2)C1
InChIInChI=1S/C18H28N2O2/c1-2-15-8-6-12-20(14-15)18(22)19-17(11-7-13-21)16-9-4-3-5-10-16/h3-5,9-10,15,17,21H,2,6-8,11-14H2,1H3,(H,19,22)
InChIKeyWLJFAHWDMUBWSZ-UHFFFAOYSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide
CID 97215879
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 110012928
3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 110882612
N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 111456100
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013
1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea
CID 111506861

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide?
The IUPAC name of 3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide (CID 111456099) is 3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide is CCC1CCCN(C(=O)NC(CCCO)c2ccccc2)C1.
What is the InChIKey of 3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide?
The InChIKey is WLJFAHWDMUBWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-15-8-6-12-20(14-15)18(22)19-17(11-7-13-21)16-9-4-3-5-10-16/h3-5,9-10,15,17,21H,2,6-8,11-14H2,1H3,(H,19,22).
What are the key properties of 3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide?
3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 111456099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).