1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one

C23H33N3O3 — CID 55578705

IUPAC1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCCCc1ccc(N2CC(C(=O)N3CCN(C(=O)C(C)C)CC3)CC2=O)cc1
InChIInChI=1S/C23H33N3O3/c1-4-5-6-18-7-9-20(10-8-18)26-16-19(15-21(26)27)23(29)25-13-11-24(12-14-25)22(28)17(2)3/h7-10,17,19H,4-6,11-16H2,1-3H3
InChIKeyTZXZIAAQVBQJBB-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.71
Rot. Bonds6

About 1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 55578705) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID55578705
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCCCc1ccc(N2CC(C(=O)N3CCN(C(=O)C(C)C)CC3)CC2=O)cc1
InChIInChI=1S/C23H33N3O3/c1-4-5-6-18-7-9-20(10-8-18)26-16-19(15-21(26)27)23(29)25-13-11-24(12-14-25)22(28)17(2)3/h7-10,17,19H,4-6,11-16H2,1-3H3
InChIKeyTZXZIAAQVBQJBB-UHFFFAOYSA-N
XLogP2.71
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108763989
N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 51565671
1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55580326
1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108764132
4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119402263
1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631
1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 46581289
4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one
CID 119416770
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119518509
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one
CID 119623843
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 55578705) is 1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one is CCCCc1ccc(N2CC(C(=O)N3CCN(C(=O)C(C)C)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is TZXZIAAQVBQJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-4-5-6-18-7-9-20(10-8-18)26-16-19(15-21(26)27)23(29)25-13-11-24(12-14-25)22(28)17(2)3/h7-10,17,19H,4-6,11-16H2,1-3H3.
What are the key properties of 1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 399.54 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 55578705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).