1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one

C22H29N3O4 — CID 48873833

IUPAC1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)C3CC(=O)N(C4CC4)C3)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-29-19-7-2-16(3-8-19)4-9-20(26)23-10-12-24(13-11-23)22(28)17-14-21(27)25(15-17)18-5-6-18/h2-3,7-8,17-18H,4-6,9-15H2,1H3
InChIKeyIRWYYCWUJDSQRD-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.31
Rot. Bonds6

About 1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one

1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 48873833) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID48873833
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)C3CC(=O)N(C4CC4)C3)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-29-19-7-2-16(3-8-19)4-9-20(26)23-10-12-24(13-11-23)22(28)17-14-21(27)25(15-17)18-5-6-18/h2-3,7-8,17-18H,4-6,9-15H2,1H3
InChIKeyIRWYYCWUJDSQRD-UHFFFAOYSA-N
XLogP1.31
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
(4R)-1-cyclopropyl-4-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94620798
1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113185530
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119754727
3-(4-methoxyphenyl)-1-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311324
1-[4-[(1R)-cyclohex-3-ene-1-carbonyl]-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 52511912
(4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 94208971
3-(4-methoxyphenyl)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 120626309
1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 42937923
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42917812
1-[4-(3-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119762598

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 48873833) is 1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one is COc1ccc(CCC(=O)N2CCN(C(=O)C3CC(=O)N(C4CC4)C3)CC2)cc1.
What is the InChIKey of 1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is IRWYYCWUJDSQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-29-19-7-2-16(3-8-19)4-9-20(26)23-10-12-24(13-11-23)22(28)17-14-21(27)25(15-17)18-5-6-18/h2-3,7-8,17-18H,4-6,9-15H2,1H3.
What are the key properties of 1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 399.49 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 48873833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).