2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide

C27H29N3O2 — CID 93290973

IUPAC2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H29N3O2/c1-20(21-10-4-2-5-11-21)28-27(32)24-14-8-9-15-25(24)30-18-16-23(17-19-30)29-26(31)22-12-6-3-7-13-22/h2-15,20,23H,16-19H2,1H3,(H,28,32)(H,29,31)/t20-/m1/s1
InChIKeyKOJLOARNYQZUSL-HXUWFJFHSA-N
MW427.55 g/mol
LogP4.58
Rot. Bonds6

About 2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide

2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 93290973) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
PubChem CID93290973
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H29N3O2/c1-20(21-10-4-2-5-11-21)28-27(32)24-14-8-9-15-25(24)30-18-16-23(17-19-30)29-26(31)22-12-6-3-7-13-22/h2-15,20,23H,16-19H2,1H3,(H,28,32)(H,29,31)/t20-/m1/s1
InChIKeyKOJLOARNYQZUSL-HXUWFJFHSA-N
XLogP4.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 93324162
3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93324204
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93290995
2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93324345
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide
CID 46037468
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
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324177
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324060

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide (CID 93290973) is 2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is KOJLOARNYQZUSL-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-20(21-10-4-2-5-11-21)28-27(32)24-14-8-9-15-25(24)30-18-16-23(17-19-30)29-26(31)22-12-6-3-7-13-22/h2-15,20,23H,16-19H2,1H3,(H,28,32)(H,29,31)/t20-/m1/s1.
What are the key properties of 2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide?
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 4.58, 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-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 93290973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).