2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide

C29H32FN3O2 — CID 5032503

IUPAC2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H32FN3O2/c1-20(2)31-29(35)26-19-25(32-28(34)23-9-6-10-24(30)18-23)11-12-27(26)33-15-13-22(14-16-33)17-21-7-4-3-5-8-21/h3-12,18-20,22H,13-17H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyRWPORQUJNNEFRQ-UHFFFAOYSA-N
MW473.59 g/mol
LogP5.68
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide

2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide (PubChem CID 5032503) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
PubChem CID5032503
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC Name2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H32FN3O2/c1-20(2)31-29(35)26-19-25(32-28(34)23-9-6-10-24(30)18-23)11-12-27(26)33-15-13-22(14-16-33)17-21-7-4-3-5-8-21/h3-12,18-20,22H,13-17H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyRWPORQUJNNEFRQ-UHFFFAOYSA-N
XLogP5.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 3408766
2-(4-benzylpiperidin-1-yl)-5-[(4-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4217425
2-(4-benzylpiperidin-1-yl)-5-[(4-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4545096
2-(4-benzylpiperidin-1-yl)-5-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 42751698
5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 24717040
2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 4587534
2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 3961147
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylbutanoylamino)benzamide
CID 42762451
N-[4-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidine-1-carbonyl)phenyl]-4-fluorobenzamide
CID 4209218
2-(4-benzylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 5199983
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide
CID 3341979

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide (CID 5032503) is 2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is RWPORQUJNNEFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O2/c1-20(2)31-29(35)26-19-25(32-28(34)23-9-6-10-24(30)18-23)11-12-27(26)33-15-13-22(14-16-33)17-21-7-4-3-5-8-21/h3-12,18-20,22H,13-17H2,1-2H3,(H,31,35)(H,32,34).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide?
2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 473.59 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 5032503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).