3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide

C20H24ClN3O — CID 1342605

IUPAC3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H24ClN3O/c21-18-8-4-5-9-19(18)22-20(25)10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25)
InChIKeyOOLOFTZLKCACCI-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.49
Rot. Bonds6

About 3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide

3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide (PubChem CID 1342605) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
PubChem CID1342605
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H24ClN3O/c21-18-8-4-5-9-19(18)22-20(25)10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25)
InChIKeyOOLOFTZLKCACCI-UHFFFAOYSA-N
XLogP3.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 113220983
N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
CID 30138028
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-3-oxopropanamide
CID 108949335
3-(4-benzylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 14762588
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 24589190
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24587396
2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide
CID 44892193
N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340912
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 39782572

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide (CID 1342605) is 3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide is O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccccc1Cl.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide?
The InChIKey is OOLOFTZLKCACCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-18-8-4-5-9-19(18)22-20(25)10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide?
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide has a molecular weight of 357.89 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 1342605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).