N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide

C23H23N3O2 — CID 6458409

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H23N3O2/c1-17(27)25-12-14-26(15-13-25)22-9-5-4-8-21(22)24-23(28)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16H,12-15H2,1H3,(H,24,28)
InChIKeyRQDDLEALPIZGMQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.76
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 6458409) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
PubChem CID6458409
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H23N3O2/c1-17(27)25-12-14-26(15-13-25)22-9-5-4-8-21(22)24-23(28)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16H,12-15H2,1H3,(H,24,28)
InChIKeyRQDDLEALPIZGMQ-UHFFFAOYSA-N
XLogP3.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 22779701
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 3161440
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
CID 3161434
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide
CID 57327098
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-methylsulfonylbenzamide
CID 57327123
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7345547
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 57327095
N-(2-acetamidophenyl)naphthalene-2-carboxamide
CID 787693
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-2-carboxamide
CID 17066078
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide
CID 40604042
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 43024824

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide (CID 6458409) is N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide?
The InChIKey is RQDDLEALPIZGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-17(27)25-12-14-26(15-13-25)22-9-5-4-8-21(22)24-23(28)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16H,12-15H2,1H3,(H,24,28).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 6458409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).