N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

C21H27N3O — CID 109018781

IUPACN-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-18-6-5-9-20(16-18)24-14-12-23(13-15-24)11-10-21(25)22-17-19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3,(H,22,25)
InChIKeyATBJASWWDGPNKW-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.82
Rot. Bonds6

About N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 109018781) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
PubChem CID109018781
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-18-6-5-9-20(16-18)24-14-12-23(13-15-24)11-10-21(25)22-17-19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3,(H,22,25)
InChIKeyATBJASWWDGPNKW-UHFFFAOYSA-N
XLogP2.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
(2S)-2-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoylamino]propanoic acid
CID 119943282
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 91834521
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119524019
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride
CID 119513309
3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
CID 70731987
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (CID 109018781) is N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is Cc1cccc(N2CCN(CCC(=O)NCc3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is ATBJASWWDGPNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-18-6-5-9-20(16-18)24-14-12-23(13-15-24)11-10-21(25)22-17-19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3,(H,22,25).
What are the key properties of N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 337.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109018781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).