2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide

C20H23N3O2 — CID 119386927

IUPAC2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCNCC2)c1
InChIInChI=1S/C20H23N3O2/c1-14-5-4-6-15(13-14)19(24)23-18-8-3-2-7-17(18)20(25)22-16-9-11-21-12-10-16/h2-8,13,16,21H,9-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyHQGHUQUQIVWDAE-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.73
Rot. Bonds4

About 2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide

2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide (PubChem CID 119386927) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide
PubChem CID119386927
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCNCC2)c1
InChIInChI=1S/C20H23N3O2/c1-14-5-4-6-15(13-14)19(24)23-18-8-3-2-7-17(18)20(25)22-16-9-11-21-12-10-16/h2-8,13,16,21H,9-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyHQGHUQUQIVWDAE-UHFFFAOYSA-N
XLogP2.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 119387878
N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide
CID 17191566
N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551107
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364162
N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide
CID 78775101
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-cyclooctyl-3-methylbenzamide
CID 966011
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-cyclohexyl-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 4938871

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide?
The IUPAC name of 2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide (CID 119386927) is 2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide is Cc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCNCC2)c1.
What is the InChIKey of 2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide?
The InChIKey is HQGHUQUQIVWDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-5-4-6-15(13-14)19(24)23-18-8-3-2-7-17(18)20(25)22-16-9-11-21-12-10-16/h2-8,13,16,21H,9-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide?
2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide has a molecular weight of 337.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119386927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).