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

C19H23ClN3O+ — CID 6939888

IUPACN-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H22ClN3O/c1-15(24)21-18-6-2-16(3-7-18)14-22-10-12-23(13-11-22)19-8-4-17(20)5-9-19/h2-9H,10-14H2,1H3,(H,21,24)/p+1
InChIKeyQKDIVYPBFAIWNQ-UHFFFAOYSA-O
MW344.87 g/mol
LogP2.20
Rot. Bonds4

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

N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide (PubChem CID 6939888) has the molecular formula C19H23ClN3O+ and a molecular weight of 344.87 g/mol. Its IUPAC name is N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide
PubChem CID6939888
Molecular FormulaC19H23ClN3O+
Molecular Weight344.87 g/mol
Exact Mass344.15
IUPAC NameN-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H22ClN3O/c1-15(24)21-18-6-2-16(3-7-18)14-22-10-12-23(13-11-22)19-8-4-17(20)5-9-19/h2-9H,10-14H2,1H3,(H,21,24)/p+1
InChIKeyQKDIVYPBFAIWNQ-UHFFFAOYSA-O
XLogP2.20
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]acetamide
CID 7446364
N-[4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide
CID 6942850
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8704189
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
4-benzyl-N-(4-chlorophenyl)piperazin-4-ium-1-carbothioamide
CID 3585498
N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-methylpropanamide
CID 6984365
N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 7105914
N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-methylbenzamide
CID 6985411
N-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide
CID 7028954
1-[4-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone
CID 6942423
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide (CID 6939888) is N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide?
The InChIKey is QKDIVYPBFAIWNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22ClN3O/c1-15(24)21-18-6-2-16(3-7-18)14-22-10-12-23(13-11-22)19-8-4-17(20)5-9-19/h2-9H,10-14H2,1H3,(H,21,24)/p+1.
What are the key properties of N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide has a molecular weight of 344.87 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 6939888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).