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

C19H22ClN3O — CID 23826694

IUPACN-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H22ClN3O/c1-15(24)21-17-8-6-16(7-9-17)14-22-10-12-23(13-11-22)19-5-3-2-4-18(19)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyPBQLCETYMDURIN-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.62
Rot. Bonds4

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

N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide (PubChem CID 23826694) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
PubChem CID23826694
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H22ClN3O/c1-15(24)21-17-8-6-16(7-9-17)14-22-10-12-23(13-11-22)19-5-3-2-4-18(19)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyPBQLCETYMDURIN-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 3592343
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42858806
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
N-[4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 122157779
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carboxylic acid
CID 134499385
(2-chlorophenyl)methyl 4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carboxylate
CID 74226982
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858798
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858799
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide
CID 75446836
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea
CID 6464249
N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
CID 53174914

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide (CID 23826694) is N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is PBQLCETYMDURIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-15(24)21-17-8-6-16(7-9-17)14-22-10-12-23(13-11-22)19-5-3-2-4-18(19)20/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 343.86 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 23826694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).