2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone

C11H17N3O — CID 110684132

IUPAC2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2cnc[nH]2)C1
InChIInChI=1S/C11H17N3O/c1-9-3-2-4-14(7-9)11(15)5-10-6-12-8-13-10/h6,8-9H,2-5,7H2,1H3,(H,12,13)
InChIKeyWVNSNJWFGXORCG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.21
Rot. Bonds2

About 2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone

2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 110684132) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID110684132
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2cnc[nH]2)C1
InChIInChI=1S/C11H17N3O/c1-9-3-2-4-14(7-9)11(15)5-10-6-12-8-13-10/h6,8-9H,2-5,7H2,1H3,(H,12,13)
InChIKeyWVNSNJWFGXORCG-UHFFFAOYSA-N
XLogP1.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid
CID 57226807
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate
CID 110697880
1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769174
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 20856427
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 110697826
1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 89293635

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone (CID 110684132) is 2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)Cc2cnc[nH]2)C1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is WVNSNJWFGXORCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-3-2-4-14(7-9)11(15)5-10-6-12-8-13-10/h6,8-9H,2-5,7H2,1H3,(H,12,13).
What are the key properties of 2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone?
2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 207.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110684132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).