N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide

C23H23ClN3O2+ — CID 9020631

IUPACN-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2cccc3ccccc23)CC1)Nc1ccccc1Cl
InChIInChI=1S/C23H22ClN3O2/c24-20-10-3-4-11-21(20)25-22(28)16-26-12-14-27(15-13-26)23(29)19-9-5-7-17-6-1-2-8-18(17)19/h1-11H,12-16H2,(H,25,28)/p+1
InChIKeyNZBSILLZWKQQFR-UHFFFAOYSA-O
MW408.91 g/mol
LogP2.47
Rot. Bonds4

About N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 9020631) has the molecular formula C23H23ClN3O2+ and a molecular weight of 408.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide
PubChem CID9020631
Molecular FormulaC23H23ClN3O2+
Molecular Weight408.91 g/mol
Exact Mass408.15
IUPAC NameN-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2cccc3ccccc23)CC1)Nc1ccccc1Cl
InChIInChI=1S/C23H22ClN3O2/c24-20-10-3-4-11-21(20)25-22(28)16-26-12-14-27(15-13-26)23(29)19-9-5-7-17-6-1-2-8-18(17)19/h1-11H,12-16H2,(H,25,28)/p+1
InChIKeyNZBSILLZWKQQFR-UHFFFAOYSA-O
XLogP2.47
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 9256937
2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide
CID 9020685
N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
N-(2-chlorophenyl)-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide
CID 9214651
2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide
CID 5072019
N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide
CID 5061478
2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429578
N-(2-chlorophenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9372163
N-(2-chlorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]acetamide
CID 9020769
N-(2-chlorophenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide
CID 9020805
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 9033863
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022344

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide (CID 9020631) is N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide is O=C(C[NH+]1CCN(C(=O)c2cccc3ccccc23)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is NZBSILLZWKQQFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H22ClN3O2/c24-20-10-3-4-11-21(20)25-22(28)16-26-12-14-27(15-13-26)23(29)19-9-5-7-17-6-1-2-8-18(17)19/h1-11H,12-16H2,(H,25,28)/p+1.
What are the key properties of N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 408.91 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9020631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).