(2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C27H33N3O4 — CID 40808708

IUPAC(2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CC[C@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@@H]1c1ccccc1OC
InChIInChI=1S/C27H33N3O4/c1-3-4-16-30-24(31)15-14-22(25(30)21-10-5-6-11-23(21)34-2)27(33)29-20-9-7-8-18(17-20)26(32)28-19-12-13-19/h5-11,17,19,22,25H,3-4,12-16H2,1-2H3,(H,28,32)(H,29,33)/t22-,25-/m0/s1
InChIKeyBJIFSCKYAUFLCI-DHLKQENFSA-N
MW463.58 g/mol
LogP4.31
Rot. Bonds9

About (2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

(2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 40808708) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is (2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID40808708
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name(2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CC[C@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@@H]1c1ccccc1OC
InChIInChI=1S/C27H33N3O4/c1-3-4-16-30-24(31)15-14-22(25(30)21-10-5-6-11-23(21)34-2)27(33)29-20-9-7-8-18(17-20)26(32)28-19-12-13-19/h5-11,17,19,22,25H,3-4,12-16H2,1-2H3,(H,28,32)(H,29,33)/t22-,25-/m0/s1
InChIKeyBJIFSCKYAUFLCI-DHLKQENFSA-N
XLogP4.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-1-butyl-N-cyclopropyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 41045510
1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24641087
3-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118772
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 30544726
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24660303
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7130706
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 46521607
1-butyl-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 86796081
1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24645150
1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 24645342
(2R,3S)-1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 8927363

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 40808708) is (2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@@H]1c1ccccc1OC.
What is the InChIKey of (2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is BJIFSCKYAUFLCI-DHLKQENFSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-3-4-16-30-24(31)15-14-22(25(30)21-10-5-6-11-23(21)34-2)27(33)29-20-9-7-8-18(17-20)26(32)28-19-12-13-19/h5-11,17,19,22,25H,3-4,12-16H2,1-2H3,(H,28,32)(H,29,33)/t22-,25-/m0/s1.
What are the key properties of (2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
(2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 40808708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).