1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone

C21H23N3O2 — CID 95896011

IUPAC1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C21H23N3O2/c25-20(15-26-14-16-7-2-1-3-8-16)24-12-6-9-17(13-24)21-22-18-10-4-5-11-19(18)23-21/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,23)/t17-/m1/s1
InChIKeyHISQAFVVKKYZGM-QGZVFWFLSA-N
MW349.43 g/mol
LogP3.49
Rot. Bonds5

About 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone

1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 95896011) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
PubChem CID95896011
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C21H23N3O2/c25-20(15-26-14-16-7-2-1-3-8-16)24-12-6-9-17(13-24)21-22-18-10-4-5-11-19(18)23-21/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,23)/t17-/m1/s1
InChIKeyHISQAFVVKKYZGM-QGZVFWFLSA-N
XLogP3.49
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 46509164
(3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 56933092
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
methyl N-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 94179831
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 46542392
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 95869645
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
N-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51317520

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone (CID 95896011) is 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is HISQAFVVKKYZGM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(15-26-14-16-7-2-1-3-8-16)24-12-6-9-17(13-24)21-22-18-10-4-5-11-19(18)23-21/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,23)/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone?
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 349.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 95896011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).