4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one

C24H29N3O2 — CID 113185297

IUPAC4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(c3ccccc3)CC2)CN1CCCc1ccccc1
InChIInChI=1S/C24H29N3O2/c28-23-18-21(19-27(23)13-7-10-20-8-3-1-4-9-20)24(29)26-16-14-25(15-17-26)22-11-5-2-6-12-22/h1-6,8-9,11-12,21H,7,10,13-19H2
InChIKeyVREDGAVXGSIWCZ-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.82
Rot. Bonds6

About 4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one

4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one (PubChem CID 113185297) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
PubChem CID113185297
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(c3ccccc3)CC2)CN1CCCc1ccccc1
InChIInChI=1S/C24H29N3O2/c28-23-18-21(19-27(23)13-7-10-20-8-3-1-4-9-20)24(29)26-16-14-25(15-17-26)22-11-5-2-6-12-22/h1-6,8-9,11-12,21H,7,10,13-19H2
InChIKeyVREDGAVXGSIWCZ-UHFFFAOYSA-N
XLogP2.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 113185301
4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 53181871
4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 55918774
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51143749
(4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 39911499
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
(4S)-4-(4-phenyl-1,4-diazepane-1-carbonyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 97196301
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 56544561
(4S)-1-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8551047
(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one
CID 9398169

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one (CID 113185297) is 4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCN(c3ccccc3)CC2)CN1CCCc1ccccc1.
What is the InChIKey of 4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one?
The InChIKey is VREDGAVXGSIWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23-18-21(19-27(23)13-7-10-20-8-3-1-4-9-20)24(29)26-16-14-25(15-17-26)22-11-5-2-6-12-22/h1-6,8-9,11-12,21H,7,10,13-19H2.
What are the key properties of 4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one?
4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one has a molecular weight of 391.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 113185297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).