(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

C21H31N3O3 — CID 110086952

IUPAC(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1OC
InChIInChI=1S/C21H31N3O3/c1-3-24-19(25)11-10-17(20(24)16-8-4-5-9-18(16)27-2)21(26)22-12-15-23-13-6-7-14-23/h4-5,8-9,17,20H,3,6-7,10-15H2,1-2H3,(H,22,26)/t17-,20+/m1/s1
InChIKeyZPWFSFOEBHGKNX-XLIONFOSSA-N
MW373.50 g/mol
LogP2.21
Rot. Bonds7

About (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 110086952) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID110086952
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1OC
InChIInChI=1S/C21H31N3O3/c1-3-24-19(25)11-10-17(20(24)16-8-4-5-9-18(16)27-2)21(26)22-12-15-23-13-6-7-14-23/h4-5,8-9,17,20H,3,6-7,10-15H2,1-2H3,(H,22,26)/t17-,20+/m1/s1
InChIKeyZPWFSFOEBHGKNX-XLIONFOSSA-N
XLogP2.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110086955
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 110087105
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 110086940
(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 94065116
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 94065115
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 46521632
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774
3-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118772
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55629214
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 46521607

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 110086952) is (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1OC.
What is the InChIKey of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is ZPWFSFOEBHGKNX-XLIONFOSSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-24-19(25)11-10-17(20(24)16-8-4-5-9-18(16)27-2)21(26)22-12-15-23-13-6-7-14-23/h4-5,8-9,17,20H,3,6-7,10-15H2,1-2H3,(H,22,26)/t17-,20+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 110086952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).