N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide

C20H30N2O2 — CID 110012928

IUPACN-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCCN(C(=O)NC(CC2CCC2)c2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-15(23)18-11-6-12-22(14-18)20(24)21-19(13-16-7-5-8-16)17-9-3-2-4-10-17/h2-4,9-10,15-16,18-19,23H,5-8,11-14H2,1H3,(H,21,24)
InChIKeyVKSLGWZCRBANJK-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.72
Rot. Bonds5

About N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide

N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 110012928) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID110012928
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCCN(C(=O)NC(CC2CCC2)c2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-15(23)18-11-6-12-22(14-18)20(24)21-19(13-16-7-5-8-16)17-9-3-2-4-10-17/h2-4,9-10,15-16,18-19,23H,5-8,11-14H2,1H3,(H,21,24)
InChIKeyVKSLGWZCRBANJK-UHFFFAOYSA-N
XLogP3.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide
CID 110027227
N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 75518181
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
CID 111456099
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
(2R)-N-(2-cyclohexyl-1-phenylethyl)-2-(methylsulfonylmethyl)pyrrolidine-1-carboxamide
CID 138033561
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604
(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide
CID 95573097
2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 146133775
1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 110012926

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide (CID 110012928) is N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide is CC(O)C1CCCN(C(=O)NC(CC2CCC2)c2ccccc2)C1.
What is the InChIKey of N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is VKSLGWZCRBANJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(23)18-11-6-12-22(14-18)20(24)21-19(13-16-7-5-8-16)17-9-3-2-4-10-17/h2-4,9-10,15-16,18-19,23H,5-8,11-14H2,1H3,(H,21,24).
What are the key properties of N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide?
N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110012928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).