2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one

C16H21N3O — CID 46430300

IUPAC2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)C(C)n2cnc3ccccc32)C1
InChIInChI=1S/C16H21N3O/c1-12-6-5-9-18(10-12)16(20)13(2)19-11-17-14-7-3-4-8-15(14)19/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3
InChIKeyLTQFNSMQGFFTRE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds2

About 2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one

2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 46430300) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID46430300
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)C(C)n2cnc3ccccc32)C1
InChIInChI=1S/C16H21N3O/c1-12-6-5-9-18(10-12)16(20)13(2)19-11-17-14-7-3-4-8-15(14)19/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3
InChIKeyLTQFNSMQGFFTRE-UHFFFAOYSA-N
XLogP2.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43502685
2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918614
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
CID 129399575
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
CID 95313077
(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95280348
2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 43070696
(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 129427686
(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one
CID 95585308
tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 42959413
(2S)-2-(benzimidazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 95707820
1-[2-(benzimidazol-1-yl)propanoyl]-1,4-diazepan-5-one
CID 62046817
(2S)-2-(benzimidazol-1-yl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95752271

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one (CID 46430300) is 2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one is CC1CCCN(C(=O)C(C)n2cnc3ccccc32)C1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is LTQFNSMQGFFTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-6-5-9-18(10-12)16(20)13(2)19-11-17-14-7-3-4-8-15(14)19/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one?
2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 271.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 46430300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).