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

C20H22N4O — CID 95315033

IUPAC(2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H22N4O/c21-19(25)18(14-7-2-1-3-8-14)24-12-6-9-15(13-24)20-22-16-10-4-5-11-17(16)23-20/h1-5,7-8,10-11,15,18H,6,9,12-13H2,(H2,21,25)(H,22,23)/t15-,18+/m0/s1
InChIKeyKCIDUVHFRFTXGE-MAUKXSAKSA-N
MW334.42 g/mol
LogP2.97
Rot. Bonds4

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

(2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide (PubChem CID 95315033) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide
PubChem CID95315033
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H22N4O/c21-19(25)18(14-7-2-1-3-8-14)24-12-6-9-15(13-24)20-22-16-10-4-5-11-17(16)23-20/h1-5,7-8,10-11,15,18H,6,9,12-13H2,(H2,21,25)(H,22,23)/t15-,18+/m0/s1
InChIKeyKCIDUVHFRFTXGE-MAUKXSAKSA-N
XLogP2.97
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
(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
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
(3S)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 66791506
2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
CID 91946903
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide (CID 95315033) is (2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide is NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of (2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide?
The InChIKey is KCIDUVHFRFTXGE-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H22N4O/c21-19(25)18(14-7-2-1-3-8-14)24-12-6-9-15(13-24)20-22-16-10-4-5-11-17(16)23-20/h1-5,7-8,10-11,15,18H,6,9,12-13H2,(H2,21,25)(H,22,23)/t15-,18+/m0/s1.
What are the key properties of (2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide?
(2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide has a molecular weight of 334.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 95315033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).