[2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone

C21H22N4O2 — CID 154858565

IUPAC[2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C2CCN(C(=O)c3ccnc(-c4ncc[nH]4)c3)CC2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-18-4-2-15(3-5-18)16-7-12-25(13-8-16)21(26)17-6-9-22-19(14-17)20-23-10-11-24-20/h2-6,9-11,14,16H,7-8,12-13H2,1H3,(H,23,24)
InChIKeyPCWYHZHRMANCTG-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.50
Rot. Bonds4

About [2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone

[2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 154858565) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID154858565
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C2CCN(C(=O)c3ccnc(-c4ncc[nH]4)c3)CC2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-18-4-2-15(3-5-18)16-7-12-25(13-8-16)21(26)17-6-9-22-19(14-17)20-23-10-11-24-20/h2-6,9-11,14,16H,7-8,12-13H2,1H3,(H,23,24)
InChIKeyPCWYHZHRMANCTG-UHFFFAOYSA-N
XLogP3.50
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone (CID 154858565) is [2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone is COc1ccc(C2CCN(C(=O)c3ccnc(-c4ncc[nH]4)c3)CC2)cc1.
What is the InChIKey of [2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is PCWYHZHRMANCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-18-4-2-15(3-5-18)16-7-12-25(13-8-16)21(26)17-6-9-22-19(14-17)20-23-10-11-24-20/h2-6,9-11,14,16H,7-8,12-13H2,1H3,(H,23,24).
What are the key properties of [2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone?
[2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 154858565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).