1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one

C25H35N3O4 — CID 55580326

IUPAC1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCCCc1ccc(N2CC(C(=O)N3CCCC(C(=O)N4CCOCC4)C3)CC2=O)cc1
InChIInChI=1S/C25H35N3O4/c1-2-3-5-19-7-9-22(10-8-19)28-18-21(16-23(28)29)25(31)27-11-4-6-20(17-27)24(30)26-12-14-32-15-13-26/h7-10,20-21H,2-6,11-18H2,1H3
InChIKeyMCWRMAATGSHKQK-UHFFFAOYSA-N
MW441.57 g/mol
LogP2.48
Rot. Bonds6

About 1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 55580326) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is 1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID55580326
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCCCc1ccc(N2CC(C(=O)N3CCCC(C(=O)N4CCOCC4)C3)CC2=O)cc1
InChIInChI=1S/C25H35N3O4/c1-2-3-5-19-7-9-22(10-8-19)28-18-21(16-23(28)29)25(31)27-11-4-6-20(17-27)24(30)26-12-14-32-15-13-26/h7-10,20-21H,2-6,11-18H2,1H3
InChIKeyMCWRMAATGSHKQK-UHFFFAOYSA-N
XLogP2.48
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55578705
1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 45340293
4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119397198
4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one
CID 119416770
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 97149949
(4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 40979269
1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108763989
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119402263
ethyl (3S)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 1241715
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 55580326) is 1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one is CCCCc1ccc(N2CC(C(=O)N3CCCC(C(=O)N4CCOCC4)C3)CC2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MCWRMAATGSHKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-2-3-5-19-7-9-22(10-8-19)28-18-21(16-23(28)29)25(31)27-11-4-6-20(17-27)24(30)26-12-14-32-15-13-26/h7-10,20-21H,2-6,11-18H2,1H3.
What are the key properties of 1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 441.57 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 55580326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).