(3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone

C14H14Cl2N4O — CID 155955172

IUPAC(3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ncc(Cl)cc1Cl)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C14H14Cl2N4O/c15-10-7-11(16)12(19-8-10)14(21)20-5-1-9(2-6-20)13-17-3-4-18-13/h3-4,7-9H,1-2,5-6H2,(H,17,18)
InChIKeyYJEJTYRGIXRPFB-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.13
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone

(3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 155955172) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID155955172
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC Name(3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ncc(Cl)cc1Cl)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C14H14Cl2N4O/c15-10-7-11(16)12(19-8-10)14(21)20-5-1-9(2-6-20)13-17-3-4-18-13/h3-4,7-9H,1-2,5-6H2,(H,17,18)
InChIKeyYJEJTYRGIXRPFB-UHFFFAOYSA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
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(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
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(E)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]but-2-en-1-one
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(2-amino-1,3-thiazol-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
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(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
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4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 70773690
5-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 155955172) is (3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone is O=C(c1ncc(Cl)cc1Cl)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is YJEJTYRGIXRPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c15-10-7-11(16)12(19-8-10)14(21)20-5-1-9(2-6-20)13-17-3-4-18-13/h3-4,7-9H,1-2,5-6H2,(H,17,18).
What are the key properties of (3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
(3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 325.20 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155955172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).