1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one

C24H35N3O3 — CID 55902291

IUPAC1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCCCCN1C(=O)CC(C(=O)N2CCN(CC3CC3)CC2)C1c1ccc(OC)cc1
InChIInChI=1S/C24H35N3O3/c1-3-4-11-27-22(28)16-21(23(27)19-7-9-20(30-2)10-8-19)24(29)26-14-12-25(13-15-26)17-18-5-6-18/h7-10,18,21,23H,3-6,11-17H2,1-2H3
InChIKeyVIARKTLFXBTCEZ-UHFFFAOYSA-N
MW413.56 g/mol
LogP2.94
Rot. Bonds8

About 1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one

1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 55902291) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID55902291
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCCCCN1C(=O)CC(C(=O)N2CCN(CC3CC3)CC2)C1c1ccc(OC)cc1
InChIInChI=1S/C24H35N3O3/c1-3-4-11-27-22(28)16-21(23(27)19-7-9-20(30-2)10-8-19)24(29)26-14-12-25(13-15-26)17-18-5-6-18/h7-10,18,21,23H,3-6,11-17H2,1-2H3
InChIKeyVIARKTLFXBTCEZ-UHFFFAOYSA-N
XLogP2.94
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one (CID 55902291) is 1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one is CCCCN1C(=O)CC(C(=O)N2CCN(CC3CC3)CC2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is VIARKTLFXBTCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-3-4-11-27-22(28)16-21(23(27)19-7-9-20(30-2)10-8-19)24(29)26-14-12-25(13-15-26)17-18-5-6-18/h7-10,18,21,23H,3-6,11-17H2,1-2H3.
What are the key properties of 1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one?
1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 413.56 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 55902291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).