(3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

C23H35N3O3 — CID 25456727

IUPAC(3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)N(CCc2ccccc2)CC2CCN(C)CC2)CC1=O
InChIInChI=1S/C23H35N3O3/c1-24-11-8-20(9-12-24)17-26(13-10-19-6-4-3-5-7-19)23(28)21-16-22(27)25(18-21)14-15-29-2/h3-7,20-21H,8-18H2,1-2H3/t21-/m0/s1
InChIKeyJXSZQAKXMLWFKF-NRFANRHFSA-N
MW401.55 g/mol
LogP1.89
Rot. Bonds9

About (3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

(3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 25456727) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID25456727
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name(3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)N(CCc2ccccc2)CC2CCN(C)CC2)CC1=O
InChIInChI=1S/C23H35N3O3/c1-24-11-8-20(9-12-24)17-26(13-10-19-6-4-3-5-7-19)23(28)21-16-22(27)25(18-21)14-15-29-2/h3-7,20-21H,8-18H2,1-2H3/t21-/m0/s1
InChIKeyJXSZQAKXMLWFKF-NRFANRHFSA-N
XLogP1.89
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 112817524
(4S)-N-[(1-methylpiperidin-4-yl)methyl]-2,7-dioxo-N-(2-phenylethyl)-1,3-diazepane-4-carboxamide
CID 97277261
(3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-benzyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 126417555
1-(2-methoxyethyl)-N-methyl-5-oxo-N-(3-phenylcyclobutyl)pyrrolidine-3-carboxamide
CID 166281801
(3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 97150658
N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182506
N-cyclopropyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 43577188
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315
(3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 95769107
2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 72878220
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 25456727) is (3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is COCCN1C[C@@H](C(=O)N(CCc2ccccc2)CC2CCN(C)CC2)CC1=O.
What is the InChIKey of (3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is JXSZQAKXMLWFKF-NRFANRHFSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-24-11-8-20(9-12-24)17-26(13-10-19-6-4-3-5-7-19)23(28)21-16-22(27)25(18-21)14-15-29-2/h3-7,20-21H,8-18H2,1-2H3/t21-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 1.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 25456727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).