(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone

C16H23N3O — CID 108987856

IUPAC(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O/c20-16(18-8-4-5-9-18)19-12-10-17(11-13-19)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2
InChIKeyNCNQGUPIGVOPHL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.02
Rot. Bonds2

About (4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone

(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 108987856) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID108987856
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O/c20-16(18-8-4-5-9-18)19-12-10-17(11-13-19)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2
InChIKeyNCNQGUPIGVOPHL-UHFFFAOYSA-N
XLogP2.02
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone 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

[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 59382130
2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoacetic acid
CID 141207482
2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone
CID 143109994
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
1-(4-benzylpiperazin-1-yl)-2-methylpropan-1-one;methane;2-methyl-1-piperidin-1-ylpropan-1-one
CID 161283045
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
1-benzylazepane
CID 10954328
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone (CID 108987856) is (4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is NCNQGUPIGVOPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(18-8-4-5-9-18)19-12-10-17(11-13-19)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2.
What are the key properties of (4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 273.38 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 108987856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).