3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride

C25H26ClN3O2 — CID 171151506

IUPAC3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)c1.Cl
InChIInChI=1S/C25H25N3O2.ClH/c1-19-8-7-9-20(18-19)24(29)26-23-13-6-5-12-22(23)25(30)28-16-14-27(15-17-28)21-10-3-2-4-11-21;/h2-13,18H,14-17H2,1H3,(H,26,29);1H
InChIKeyMBYVGYSTRASKIV-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.63
Rot. Bonds4

About 3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride

3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride (PubChem CID 171151506) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
PubChem CID171151506
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)c1.Cl
InChIInChI=1S/C25H25N3O2.ClH/c1-19-8-7-9-20(18-19)24(29)26-23-13-6-5-12-22(23)25(30)28-16-14-27(15-17-28)21-10-3-2-4-11-21;/h2-13,18H,14-17H2,1H3,(H,26,29);1H
InChIKeyMBYVGYSTRASKIV-UHFFFAOYSA-N
XLogP4.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
ethyl 4-[2-[(3-methylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 2984971
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771
2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 17256713
3-iodo-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1392008
3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
CID 46391982
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride (CID 171151506) is 3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride is Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)c1.Cl.
What is the InChIKey of 3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The InChIKey is MBYVGYSTRASKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2.ClH/c1-19-8-7-9-20(18-19)24(29)26-23-13-6-5-12-22(23)25(30)28-16-14-27(15-17-28)21-10-3-2-4-11-21;/h2-13,18H,14-17H2,1H3,(H,26,29);1H.
What are the key properties of 3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride has a molecular weight of 435.96 g/mol, XLogP of 4.63, 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-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 171151506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).