N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide

C20H22N4O2 — CID 71035951

IUPACN-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCN[C@@H](c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C20H22N4O2/c1-26-15-8-6-13(7-9-15)20(25)22-14-10-11-21-18(12-14)19-23-16-4-2-3-5-17(16)24-19/h2-9,14,18,21H,10-12H2,1H3,(H,22,25)(H,23,24)/t14-,18-/m1/s1
InChIKeyBYVIEESXQJFHEG-RDTXWAMCSA-N
MW350.42 g/mol
LogP2.79
Rot. Bonds4

About N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide

N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide (PubChem CID 71035951) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide
PubChem CID71035951
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCN[C@@H](c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C20H22N4O2/c1-26-15-8-6-13(7-9-15)20(25)22-14-10-11-21-18(12-14)19-23-16-4-2-3-5-17(16)24-19/h2-9,14,18,21H,10-12H2,1H3,(H,22,25)(H,23,24)/t14-,18-/m1/s1
InChIKeyBYVIEESXQJFHEG-RDTXWAMCSA-N
XLogP2.79
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide
CID 71035957
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-4-(2,2,2-trifluoroacetyl)benzamide
CID 76559507
N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide
CID 71095749
N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide
CID 59175151
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
CID 86638539
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide
CID 120602324
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 71095713
(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 129366444

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide (CID 71035951) is N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H]2CCN[C@@H](c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide?
The InChIKey is BYVIEESXQJFHEG-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-15-8-6-13(7-9-15)20(25)22-14-10-11-21-18(12-14)19-23-16-4-2-3-5-17(16)24-19/h2-9,14,18,21H,10-12H2,1H3,(H,22,25)(H,23,24)/t14-,18-/m1/s1.
What are the key properties of N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide?
N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide has a molecular weight of 350.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 71035951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).