(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide

C20H23N3O2 — CID 9306022

IUPAC(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C20H23N3O2/c21-20(25)17-7-4-12-23(13-17)14-19(24)22-18-10-8-16(9-11-18)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H2,21,25)(H,22,24)/t17-/m1/s1
InChIKeyUGDWPBWFCGWZAE-QGZVFWFLSA-N
MW337.42 g/mol
LogP2.49
Rot. Bonds5

About (3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide

(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide (PubChem CID 9306022) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
PubChem CID9306022
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C20H23N3O2/c21-20(25)17-7-4-12-23(13-17)14-19(24)22-18-10-8-16(9-11-18)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H2,21,25)(H,22,24)/t17-/m1/s1
InChIKeyUGDWPBWFCGWZAE-QGZVFWFLSA-N
XLogP2.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305538
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026144
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9306042
(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305089
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765
4-[2-oxo-2-(4-phenylanilino)ethyl]morpholine-2-carboxamide
CID 49451499
(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304559
(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645
(3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304613
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide (CID 9306022) is (3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of (3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide?
The InChIKey is UGDWPBWFCGWZAE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-20(25)17-7-4-12-23(13-17)14-19(24)22-18-10-8-16(9-11-18)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H2,21,25)(H,22,24)/t17-/m1/s1.
What are the key properties of (3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide?
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9306022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).