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

C30H35N3O2 — CID 3408766

IUPAC2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NC(C)C)c1
InChIInChI=1S/C30H35N3O2/c1-21(2)31-30(35)27-20-25(32-29(34)26-12-8-7-9-22(26)3)13-14-28(27)33-17-15-24(16-18-33)19-23-10-5-4-6-11-23/h4-14,20-21,24H,15-19H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyXUQIBNVITUUZGX-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.84
Rot. Bonds7

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

2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide (PubChem CID 3408766) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide
PubChem CID3408766
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NC(C)C)c1
InChIInChI=1S/C30H35N3O2/c1-21(2)31-30(35)27-20-25(32-29(34)26-12-8-7-9-22(26)3)13-14-28(27)33-17-15-24(16-18-33)19-23-10-5-4-6-11-23/h4-14,20-21,24H,15-19H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyXUQIBNVITUUZGX-UHFFFAOYSA-N
XLogP5.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.84
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-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 5032503
2-(4-benzylpiperidin-1-yl)-5-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 42751698
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
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807328
5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 1063277
2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1063121
2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)benzamide
CID 4691013
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638
2-(4-benzylpiperidin-1-yl)-5-[[(2S)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967321
2-(4-benzylpiperidin-1-yl)-5-[[(2R)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967322
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1054019

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide (CID 3408766) is 2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide is Cc1ccccc1C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NC(C)C)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is XUQIBNVITUUZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-21(2)31-30(35)27-20-25(32-29(34)26-12-8-7-9-22(26)3)13-14-28(27)33-17-15-24(16-18-33)19-23-10-5-4-6-11-23/h4-14,20-21,24H,15-19H2,1-3H3,(H,31,35)(H,32,34).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide?
2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 469.63 g/mol, XLogP of 5.84, 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-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 3408766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).