4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide

C21H25N3O2 — CID 649269

IUPAC4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-6-5-8-18(14-15)23-21(26)24-12-10-17(11-13-24)22-20(25)19-9-4-3-7-16(19)2/h3-9,14,17H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUCCAOTTUKXFNMK-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.73
Rot. Bonds3

About 4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide

4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 649269) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID649269
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-6-5-8-18(14-15)23-21(26)24-12-10-17(11-13-24)22-20(25)19-9-4-3-7-16(19)2/h3-9,14,17H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUCCAOTTUKXFNMK-UHFFFAOYSA-N
XLogP3.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide (CID 649269) is 4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1.
What is the InChIKey of 4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is UCCAOTTUKXFNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-6-5-8-18(14-15)23-21(26)24-12-10-17(11-13-24)22-20(25)19-9-4-3-7-16(19)2/h3-9,14,17H,10-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide?
4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbenzoyl)amino]-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 649269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).