3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one

C19H20N4O2 — CID 178098665

IUPAC3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one
SMILESO=C(Cc1ccccn1)N1CCC[C@H](n2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C19H20N4O2/c24-18(12-14-6-3-4-10-20-14)22-11-5-7-15(13-22)23-17-9-2-1-8-16(17)21-19(23)25/h1-4,6,8-10,15H,5,7,11-13H2,(H,21,25)/t15-/m0/s1
InChIKeyFIHCPOCNOAIDCB-HNNXBMFYSA-N
MW336.39 g/mol
LogP2.13
Rot. Bonds3

About 3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one

3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one (PubChem CID 178098665) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one
PubChem CID178098665
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one
SMILESO=C(Cc1ccccn1)N1CCC[C@H](n2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C19H20N4O2/c24-18(12-14-6-3-4-10-20-14)22-11-5-7-15(13-22)23-17-9-2-1-8-16(17)21-19(23)25/h1-4,6,8-10,15H,5,7,11-13H2,(H,21,25)/t15-/m0/s1
InChIKeyFIHCPOCNOAIDCB-HNNXBMFYSA-N
XLogP2.13
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-[2-(3-bromo-4-methoxyphenyl)acetyl]piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098589
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59918926
3-[(3S)-1-[(2R)-2-(4-fluorophenyl)propanoyl]piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098649
2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 110236867
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid
CID 106813448
4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217869
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
[(2S)-2-(dibenzylamino)propyl] 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 25192945
6-chloro-3-[(3S)-1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098467
4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one
CID 65361208

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one (CID 178098665) is 3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one is O=C(Cc1ccccn1)N1CCC[C@H](n2c(=O)[nH]c3ccccc32)C1.
What is the InChIKey of 3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one?
The InChIKey is FIHCPOCNOAIDCB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(12-14-6-3-4-10-20-14)22-11-5-7-15(13-22)23-17-9-2-1-8-16(17)21-19(23)25/h1-4,6,8-10,15H,5,7,11-13H2,(H,21,25)/t15-/m0/s1.
What are the key properties of 3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one?
3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one has a molecular weight of 336.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 178098665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).