2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide

C23H29N3O2 — CID 46037432

IUPAC2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-3-17(2)24-23(28)20-11-7-8-12-21(20)26-15-13-19(14-16-26)25-22(27)18-9-5-4-6-10-18/h4-12,17,19H,3,13-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyVSQBWLYLEPYXAP-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.61
Rot. Bonds6

About 2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide

2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide (PubChem CID 46037432) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
PubChem CID46037432
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-3-17(2)24-23(28)20-11-7-8-12-21(20)26-15-13-19(14-16-26)25-22(27)18-9-5-4-6-10-18/h4-12,17,19H,3,13-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyVSQBWLYLEPYXAP-UHFFFAOYSA-N
XLogP3.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848022
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848447
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide
CID 42848513
2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
CID 46037660
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324177
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 93324162
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-(3-methylbutan-2-yl)benzamide
CID 46037800
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324056

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide?
The IUPAC name of 2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide (CID 46037432) is 2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide.
What is the SMILES notation for 2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide?
The canonical SMILES for 2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide?
The InChIKey is VSQBWLYLEPYXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-17(2)24-23(28)20-11-7-8-12-21(20)26-15-13-19(14-16-26)25-22(27)18-9-5-4-6-10-18/h4-12,17,19H,3,13-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide?
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide is sourced from PubChem (CID 46037432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).