2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

C22H30N4O — CID 70709077

IUPAC2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCN(Cc2ccccc2)CC1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C22H30N4O/c27-21(26-12-4-7-20(17-26)22-23-10-11-24-22)15-18-8-13-25(14-9-18)16-19-5-2-1-3-6-19/h1-3,5-6,10-11,18,20H,4,7-9,12-17H2,(H,23,24)
InChIKeySBFWLRBTPZTNJL-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.42
Rot. Bonds5

About 2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 70709077) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID70709077
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCN(Cc2ccccc2)CC1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C22H30N4O/c27-21(26-12-4-7-20(17-26)22-23-10-11-24-22)15-18-8-13-25(14-9-18)16-19-5-2-1-3-6-19/h1-3,5-6,10-11,18,20H,4,7-9,12-17H2,(H,23,24)
InChIKeySBFWLRBTPZTNJL-UHFFFAOYSA-N
XLogP3.42
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
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1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
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1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70718470
[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 124505736
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
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(6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one
CID 137334191
2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 136563425
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
CID 95968867
[5-(2-chlorophenyl)furan-2-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (CID 70709077) is 2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is O=C(CC1CCN(Cc2ccccc2)CC1)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is SBFWLRBTPZTNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c27-21(26-12-4-7-20(17-26)22-23-10-11-24-22)15-18-8-13-25(14-9-18)16-19-5-2-1-3-6-19/h1-3,5-6,10-11,18,20H,4,7-9,12-17H2,(H,23,24).
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 366.51 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70709077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).