N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide

C19H22ClN3O — CID 10617381

IUPACN-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCN2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H22ClN3O/c1-15-6-8-16(9-7-15)19(24)21-14-22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyAUCTYGBZIOGIIA-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.16
Rot. Bonds4

About N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide

N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide (PubChem CID 10617381) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide
PubChem CID10617381
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCN2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H22ClN3O/c1-15-6-8-16(9-7-15)19(24)21-14-22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyAUCTYGBZIOGIIA-UHFFFAOYSA-N
XLogP3.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide (CID 10617381) is N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCN2CCN(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide?
The InChIKey is AUCTYGBZIOGIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-15-6-8-16(9-7-15)19(24)21-14-22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide?
N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide has a molecular weight of 343.86 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 10617381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).