3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide

C29H29N3O — CID 127046364

IUPAC3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccc4ccccc4c3)ccc2N2CCN(C)CC2)c1
InChIInChI=1S/C29H29N3O/c1-21-6-5-9-26(18-21)29(33)30-27-20-25(12-13-28(27)32-16-14-31(2)15-17-32)24-11-10-22-7-3-4-8-23(22)19-24/h3-13,18-20H,14-17H2,1-2H3,(H,30,33)
InChIKeyZVUPHWDFGWNIOA-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.82
Rot. Bonds4

About 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide

3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide (PubChem CID 127046364) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide
PubChem CID127046364
Molecular FormulaC29H29N3O
Molecular Weight435.57 g/mol
Exact Mass435.23
IUPAC Name3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccc4ccccc4c3)ccc2N2CCN(C)CC2)c1
InChIInChI=1S/C29H29N3O/c1-21-6-5-9-26(18-21)29(33)30-27-20-25(12-13-28(27)32-16-14-31(2)15-17-32)24-11-10-22-7-3-4-8-23(22)19-24/h3-13,18-20H,14-17H2,1-2H3,(H,30,33)
InChIKeyZVUPHWDFGWNIOA-UHFFFAOYSA-N
XLogP5.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762
3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 4288614
3-[(4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285212
N-(5-amino-2-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91675430
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
CID 122357062
methyl 3-benzamido-4-(4-methylpiperazin-1-yl)benzoate
CID 6457150
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458
N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 6458409
4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methylbenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146053855
3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 57327062
methyl 3-[(3-iodobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6457104
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-methylbenzamide
CID 17066106

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide (CID 127046364) is 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide is Cc1cccc(C(=O)Nc2cc(-c3ccc4ccccc4c3)ccc2N2CCN(C)CC2)c1.
What is the InChIKey of 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide?
The InChIKey is ZVUPHWDFGWNIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O/c1-21-6-5-9-26(18-21)29(33)30-27-20-25(12-13-28(27)32-16-14-31(2)15-17-32)24-11-10-22-7-3-4-8-23(22)19-24/h3-13,18-20H,14-17H2,1-2H3,(H,30,33).
What are the key properties of 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide?
3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide has a molecular weight of 435.57 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide is sourced from PubChem (CID 127046364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).