N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

C29H30N4O2 — CID 55938899

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N[C@@H](Cc3ccccc3)c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C29H30N4O2/c1-20-13-15-22(16-14-20)29(35)33-17-7-10-23(19-33)28(34)32-26(18-21-8-3-2-4-9-21)27-30-24-11-5-6-12-25(24)31-27/h2-6,8-9,11-16,23,26H,7,10,17-19H2,1H3,(H,30,31)(H,32,34)/t23?,26-/m0/s1
InChIKeyGOTDRZJRIFTADM-NASUQTAISA-N
MW466.59 g/mol
LogP4.82
Rot. Bonds6

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 55938899) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID55938899
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N[C@@H](Cc3ccccc3)c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C29H30N4O2/c1-20-13-15-22(16-14-20)29(35)33-17-7-10-23(19-33)28(34)32-26(18-21-8-3-2-4-9-21)27-30-24-11-5-6-12-25(24)31-27/h2-6,8-9,11-16,23,26H,7,10,17-19H2,1H3,(H,30,31)(H,32,34)/t23?,26-/m0/s1
InChIKeyGOTDRZJRIFTADM-NASUQTAISA-N
XLogP4.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide
CID 9116736
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46563500
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-propanoylpiperidine-3-carboxamide
CID 51960823
2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165825
(3R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94040496
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 136527944
(2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119193921
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide
CID 2531246
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 55938899) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)N[C@@H](Cc3ccccc3)c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is GOTDRZJRIFTADM-NASUQTAISA-N. The full InChI is InChI=1S/C29H30N4O2/c1-20-13-15-22(16-14-20)29(35)33-17-7-10-23(19-33)28(34)32-26(18-21-8-3-2-4-9-21)27-30-24-11-5-6-12-25(24)31-27/h2-6,8-9,11-16,23,26H,7,10,17-19H2,1H3,(H,30,31)(H,32,34)/t23?,26-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55938899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).