1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one

C24H36N4O2 — CID 3066233

IUPAC1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one
SMILESO=C(CN1CCN(CCCN2C(=O)CCCC2c2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C24H36N4O2/c29-23-11-6-10-22(21-8-2-1-3-9-21)28(23)15-7-12-25-16-18-26(19-17-25)20-24(30)27-13-4-5-14-27/h1-3,8-9,22H,4-7,10-20H2
InChIKeyDRHVXPRWJNDCLP-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.37
Rot. Bonds7

About 1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one

1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one (PubChem CID 3066233) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one
PubChem CID3066233
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one
SMILESO=C(CN1CCN(CCCN2C(=O)CCCC2c2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C24H36N4O2/c29-23-11-6-10-22(21-8-2-1-3-9-21)28(23)15-7-12-25-16-18-26(19-17-25)20-24(30)27-13-4-5-14-27/h1-3,8-9,22H,4-7,10-20H2
InChIKeyDRHVXPRWJNDCLP-UHFFFAOYSA-N
XLogP2.37
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 171688367
1-(azepan-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 110923764
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72851229
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 60645190
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253082
3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 112840502
1-benzyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 78858914
(3S)-4-benzyl-3-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one
CID 95556771

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one?
The IUPAC name of 1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one (CID 3066233) is 1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one.
What is the SMILES notation for 1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one?
The canonical SMILES for 1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one is O=C(CN1CCN(CCCN2C(=O)CCCC2c2ccccc2)CC1)N1CCCC1.
What is the InChIKey of 1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one?
The InChIKey is DRHVXPRWJNDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c29-23-11-6-10-22(21-8-2-1-3-9-21)28(23)15-7-12-25-16-18-26(19-17-25)20-24(30)27-13-4-5-14-27/h1-3,8-9,22H,4-7,10-20H2.
What are the key properties of 1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one?
1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one has a molecular weight of 412.58 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one is sourced from PubChem (CID 3066233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).