N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide

C25H32N4O2 — CID 55986557

IUPACN-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCN2Cc2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C25H32N4O2/c30-24(26-18-21-8-3-1-4-9-21)20-27-14-16-28(17-15-27)25(31)23-12-7-13-29(23)19-22-10-5-2-6-11-22/h1-6,8-11,23H,7,12-20H2,(H,26,30)
InChIKeyRLUXXKGQODPEQM-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.11
Rot. Bonds7

About N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55986557) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID55986557
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCN2Cc2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C25H32N4O2/c30-24(26-18-21-8-3-1-4-9-21)20-27-14-16-28(17-15-27)25(31)23-12-7-13-29(23)19-22-10-5-2-6-11-22/h1-6,8-11,23H,7,12-20H2,(H,26,30)
InChIKeyRLUXXKGQODPEQM-UHFFFAOYSA-N
XLogP2.11
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide 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

(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 137341250
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
(4-benzhydrylpiperazin-1-yl)-[(2S)-1-benzylpyrrolidin-2-yl]methanone
CID 10225228
N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 49399454
(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546904
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide
CID 119840168
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide (CID 55986557) is N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)C2CCCN2Cc2ccccc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is RLUXXKGQODPEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-24(26-18-21-8-3-1-4-9-21)20-27-14-16-28(17-15-27)25(31)23-12-7-13-29(23)19-22-10-5-2-6-11-22/h1-6,8-11,23H,7,12-20H2,(H,26,30).
What are the key properties of N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55986557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).