8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide

C22H23N3O — CID 54247739

IUPAC8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide
SMILESCN1CCN(c2cccc3ccc(C(=O)Nc4ccccc4)cc23)CC1
InChIInChI=1S/C22H23N3O/c1-24-12-14-25(15-13-24)21-9-5-6-17-10-11-18(16-20(17)21)22(26)23-19-7-3-2-4-8-19/h2-11,16H,12-15H2,1H3,(H,23,26)
InChIKeyQUMNTSJGARCQBF-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.84
Rot. Bonds3

About 8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide

8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide (PubChem CID 54247739) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide
PubChem CID54247739
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide
SMILESCN1CCN(c2cccc3ccc(C(=O)Nc4ccccc4)cc23)CC1
InChIInChI=1S/C22H23N3O/c1-24-12-14-25(15-13-24)21-9-5-6-17-10-11-18(16-20(17)21)22(26)23-19-7-3-2-4-8-19/h2-11,16H,12-15H2,1H3,(H,23,26)
InChIKeyQUMNTSJGARCQBF-UHFFFAOYSA-N
XLogP3.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide
CID 22115646
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
methyl 4-[[3-(4-methylpiperazin-1-yl)benzoyl]amino]benzoate
CID 11394069
[8-(4-methylpiperazin-1-yl)naphthalen-2-yl] 4-chlorobenzoate
CID 18967509
8-(4-methylpiperazin-1-yl)naphthalen-2-amine
CID 23353484
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide
CID 44527477
3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide
CID 99967054
2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate
CID 67626676
N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide
CID 23353494
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide (CID 54247739) is 8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide is CN1CCN(c2cccc3ccc(C(=O)Nc4ccccc4)cc23)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide?
The InChIKey is QUMNTSJGARCQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-24-12-14-25(15-13-24)21-9-5-6-17-10-11-18(16-20(17)21)22(26)23-19-7-3-2-4-8-19/h2-11,16H,12-15H2,1H3,(H,23,26).
What are the key properties of 8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide?
8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 54247739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).