N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide

C25H29N3O5 — CID 46576773

IUPACN-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(N2CC(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2=O)cc1OC
InChIInChI=1S/C25H29N3O5/c1-32-21-9-8-20(15-22(21)33-2)28-16-18(14-23(28)29)25(31)27-12-10-19(11-13-27)26-24(30)17-6-4-3-5-7-17/h3-9,15,18-19H,10-14,16H2,1-2H3,(H,26,30)
InChIKeyVLZORHKBJKEYJP-UHFFFAOYSA-N
MW451.52 g/mol
LogP2.48
Rot. Bonds6

About N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide

N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide (PubChem CID 46576773) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
PubChem CID46576773
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC NameN-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(N2CC(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2=O)cc1OC
InChIInChI=1S/C25H29N3O5/c1-32-21-9-8-20(15-22(21)33-2)28-16-18(14-23(28)29)25(31)27-12-10-19(11-13-27)26-24(30)17-6-4-3-5-7-17/h3-9,15,18-19H,10-14,16H2,1-2H3,(H,26,30)
InChIKeyVLZORHKBJKEYJP-UHFFFAOYSA-N
XLogP2.48
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-4-yl]benzamide
CID 46576515
N-[1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 41246549
N-[3-(cyclopropylcarbamoyl)phenyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569296
(3S)-1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 125149004
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
4-bromo-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971347
1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110424641
3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564303
(3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149870
(4S)-4-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29132030
N-(2-methoxyethyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118564
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 7564250

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide (CID 46576773) is N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide is COc1ccc(N2CC(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2=O)cc1OC.
What is the InChIKey of N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is VLZORHKBJKEYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-32-21-9-8-20(15-22(21)33-2)28-16-18(14-23(28)29)25(31)27-12-10-19(11-13-27)26-24(30)17-6-4-3-5-7-17/h3-9,15,18-19H,10-14,16H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide?
N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 451.52 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46576773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).