3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

C23H29N3O2 — CID 30335564

IUPAC3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCCCCc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-3-4-8-18-9-7-10-19(17-18)22(27)24-21-12-6-5-11-20(21)23(28)26-15-13-25(2)14-16-26/h5-7,9-12,17H,3-4,8,13-16H2,1-2H3,(H,24,27)
InChIKeyKDBSOJDUDLDRIY-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.67
Rot. Bonds6

About 3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 30335564) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID30335564
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCCCCc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-3-4-8-18-9-7-10-19(17-18)22(27)24-21-12-6-5-11-20(21)23(28)26-15-13-25(2)14-16-26/h5-7,9-12,17H,3-4,8,13-16H2,1-2H3,(H,24,27)
InChIKeyKDBSOJDUDLDRIY-UHFFFAOYSA-N
XLogP3.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]benzamide
CID 47047817
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide
CID 4935215
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 39652535
ethyl 4-[2-[(3-methylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 2984971
3-bromo-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 54791629
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311490
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 38097553
3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 171151506

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 30335564) is 3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is CCCCc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is KDBSOJDUDLDRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-4-8-18-9-7-10-19(17-18)22(27)24-21-12-6-5-11-20(21)23(28)26-15-13-25(2)14-16-26/h5-7,9-12,17H,3-4,8,13-16H2,1-2H3,(H,24,27).
What are the key properties of 3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 30335564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).