N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride

C22H28ClN3O2 — CID 110283271

IUPACN-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride
SMILESCl.O=C(CC1NCCN(CCCc2ccccc2)C1=O)NCc1ccccc1
InChIInChI=1S/C22H27N3O2.ClH/c26-21(24-17-19-10-5-2-6-11-19)16-20-22(27)25(15-13-23-20)14-7-12-18-8-3-1-4-9-18;/h1-6,8-11,20,23H,7,12-17H2,(H,24,26);1H
InChIKeyFSWRBZRCLVKIHU-UHFFFAOYSA-N
MW401.94 g/mol
LogP2.55
Rot. Bonds8

About N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride

N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride (PubChem CID 110283271) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride
PubChem CID110283271
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride
SMILESCl.O=C(CC1NCCN(CCCc2ccccc2)C1=O)NCc1ccccc1
InChIInChI=1S/C22H27N3O2.ClH/c26-21(24-17-19-10-5-2-6-11-19)16-20-22(27)25(15-13-23-20)14-7-12-18-8-3-1-4-9-18;/h1-6,8-11,20,23H,7,12-17H2,(H,24,26);1H
InChIKeyFSWRBZRCLVKIHU-UHFFFAOYSA-N
XLogP2.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride 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

N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 110283222
N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 41385144
2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 110283393
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110283183
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193
2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide
CID 7188924
3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one
CID 141062429
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride
CID 70203042
2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 110283203

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride?
The IUPAC name of N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride (CID 110283271) is N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride is Cl.O=C(CC1NCCN(CCCc2ccccc2)C1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride?
The InChIKey is FSWRBZRCLVKIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c26-21(24-17-19-10-5-2-6-11-19)16-20-22(27)25(15-13-23-20)14-7-12-18-8-3-1-4-9-18;/h1-6,8-11,20,23H,7,12-17H2,(H,24,26);1H.
What are the key properties of N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride?
N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 110283271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).