(2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide

C21H29N3O3 — CID 127244533

IUPAC(2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2=O)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C21H29N3O3/c1-3-24-19(26)11-10-17(20(24)16-8-6-15(2)7-9-16)21(27)22-12-14-23-13-4-5-18(23)25/h6-9,17,20H,3-5,10-14H2,1-2H3,(H,22,27)/t17-,20+/m1/s1
InChIKeyTYIWBANHOAHWRR-XLIONFOSSA-N
MW371.48 g/mol
LogP2.03
Rot. Bonds6

About (2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide

(2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 127244533) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID127244533
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2=O)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C21H29N3O3/c1-3-24-19(26)11-10-17(20(24)16-8-6-15(2)7-9-16)21(27)22-12-14-23-13-4-5-18(23)25/h6-9,17,20H,3-5,10-14H2,1-2H3,(H,22,27)/t17-,20+/m1/s1
InChIKeyTYIWBANHOAHWRR-XLIONFOSSA-N
XLogP2.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 95738423
(5R,6R)-1-ethyl-5-(4-methyl-1,4-diazepane-1-carbonyl)-6-(4-methylphenyl)piperidin-2-one
CID 110087385
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 110086952
methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate
CID 95738407
(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 110087409
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 110086940
(2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid
CID 171688374
2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 171143923
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 97202624
N-cyclopropyl-1-(2-methoxyethyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 171143816
(2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 110087607
(2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110087251

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide (CID 127244533) is (2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2=O)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of (2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is TYIWBANHOAHWRR-XLIONFOSSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-24-19(26)11-10-17(20(24)16-8-6-15(2)7-9-16)21(27)22-12-14-23-13-4-5-18(23)25/h6-9,17,20H,3-5,10-14H2,1-2H3,(H,22,27)/t17-,20+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide?
(2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 127244533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).