2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide

C23H22ClN3O2 — CID 55553446

IUPAC2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C23H22ClN3O2/c24-19-10-8-18(9-11-19)23(29)27-14-12-26(13-15-27)16-22(28)25-21-7-3-5-17-4-1-2-6-20(17)21/h1-11H,12-16H2,(H,25,28)
InChIKeyYGYFEFLEWVHEAV-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.89
Rot. Bonds4

About 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 55553446) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID55553446
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C23H22ClN3O2/c24-19-10-8-18(9-11-19)23(29)27-14-12-26(13-15-27)16-22(28)25-21-7-3-5-17-4-1-2-6-20(17)21/h1-11H,12-16H2,(H,25,28)
InChIKeyYGYFEFLEWVHEAV-UHFFFAOYSA-N
XLogP3.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 46551898
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46551652
N-(2-acetylphenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetamide
CID 35252913
2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 31375804
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
CID 55552778
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 1439401
N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35204540
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 22194778
2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 31375697
N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29166438
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835242

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide (CID 55553446) is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide is O=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc2ccccc12.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is YGYFEFLEWVHEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c24-19-10-8-18(9-11-19)23(29)27-14-12-26(13-15-27)16-22(28)25-21-7-3-5-17-4-1-2-6-20(17)21/h1-11H,12-16H2,(H,25,28).
What are the key properties of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide?
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 407.90 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 55553446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).