[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone

C22H23N3O — CID 44565831

IUPAC[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1
InChIInChI=1S/C22H23N3O/c26-22(20-8-6-19(7-9-20)18-4-2-1-3-5-18)25-14-10-17(11-15-25)16-21-23-12-13-24-21/h1-9,12-13,17H,10-11,14-16H2,(H,23,24)
InChIKeyPVLFKBFVRJQYSA-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.17
Rot. Bonds4

About [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone

[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 44565831) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID44565831
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1
InChIInChI=1S/C22H23N3O/c26-22(20-8-6-19(7-9-20)18-4-2-1-3-5-18)25-14-10-17(11-15-25)16-21-23-12-13-24-21/h1-9,12-13,17H,10-11,14-16H2,(H,23,24)
InChIKeyPVLFKBFVRJQYSA-UHFFFAOYSA-N
XLogP4.17
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone (CID 44565831) is [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1.
What is the InChIKey of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is PVLFKBFVRJQYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(20-8-6-19(7-9-20)18-4-2-1-3-5-18)25-14-10-17(11-15-25)16-21-23-12-13-24-21/h1-9,12-13,17H,10-11,14-16H2,(H,23,24).
What are the key properties of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone?
[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 345.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 44565831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).