(3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

C20H28N2O3 — CID 97149069

IUPAC(3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C20H28N2O3/c23-19-9-8-17(20(24)21-18-10-13-25-14-11-18)15-22(19)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,21,24)/t17-/m0/s1
InChIKeyRZQVWBDKLRQQCG-KRWDZBQOSA-N
MW344.45 g/mol
LogP2.15
Rot. Bonds6

About (3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

(3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 97149069) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID97149069
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C20H28N2O3/c23-19-9-8-17(20(24)21-18-10-13-25-14-11-18)15-22(19)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,21,24)/t17-/m0/s1
InChIKeyRZQVWBDKLRQQCG-KRWDZBQOSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cyclopropyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97114789
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
CID 25280204
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 114333959
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30876883
(3S)-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42193496
N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 24790154
(3S)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 136748649
6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide
CID 45246000
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 45195311
N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 45200305

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (CID 97149069) is (3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is O=C(NC1CCOCC1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of (3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is RZQVWBDKLRQQCG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19-9-8-17(20(24)21-18-10-13-25-14-11-18)15-22(19)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,21,24)/t17-/m0/s1.
What are the key properties of (3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
(3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 97149069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).