1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide

C23H26N4O2 — CID 9116736

IUPAC1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H26N4O2/c1-16(28)27-13-11-18(12-14-27)23(29)26-21(15-17-7-3-2-4-8-17)22-24-19-9-5-6-10-20(19)25-22/h2-10,18,21H,11-15H2,1H3,(H,24,25)(H,26,29)/t21-/m1/s1
InChIKeyGUVCBLWTFBPAOG-OAQYLSRUSA-N
MW390.49 g/mol
LogP3.22
Rot. Bonds5

About 1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide

1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide (PubChem CID 9116736) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide
PubChem CID9116736
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H26N4O2/c1-16(28)27-13-11-18(12-14-27)23(29)26-21(15-17-7-3-2-4-8-17)22-24-19-9-5-6-10-20(19)25-22/h2-10,18,21H,11-15H2,1H3,(H,24,25)(H,26,29)/t21-/m1/s1
InChIKeyGUVCBLWTFBPAOG-OAQYLSRUSA-N
XLogP3.22
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46563500
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55938899
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-methylsulfanylpropanamide
CID 40633884
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55936326
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide
CID 2531246
tert-butyl 4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39966598
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 47066856
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]cyclobutanecarboxamide
CID 58746615
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 3653845

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide (CID 9116736) is 1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide?
The InChIKey is GUVCBLWTFBPAOG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(28)27-13-11-18(12-14-27)23(29)26-21(15-17-7-3-2-4-8-17)22-24-19-9-5-6-10-20(19)25-22/h2-10,18,21H,11-15H2,1H3,(H,24,25)(H,26,29)/t21-/m1/s1.
What are the key properties of 1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide?
1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 9116736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).