[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone

C21H22N4O — CID 70723601

IUPAC[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCN(c2ccc(Cn3ccnc3)cn2)C1
InChIInChI=1S/C21H22N4O/c26-21(18-5-2-1-3-6-18)19-7-4-11-25(15-19)20-9-8-17(13-23-20)14-24-12-10-22-16-24/h1-3,5-6,8-10,12-13,16,19H,4,7,11,14-15H2
InChIKeyUQECGNCFJPQDOT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds5

About [1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone

[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone (PubChem CID 70723601) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is [1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone
PubChem CID70723601
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCN(c2ccc(Cn3ccnc3)cn2)C1
InChIInChI=1S/C21H22N4O/c26-21(18-5-2-1-3-6-18)19-7-4-11-25(15-19)20-9-8-17(13-23-20)14-24-12-10-22-16-24/h1-3,5-6,8-10,12-13,16,19H,4,7,11,14-15H2
InChIKeyUQECGNCFJPQDOT-UHFFFAOYSA-N
XLogP3.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(imidazol-1-ylmethyl)-2-[3-(2-methylphenyl)piperidin-1-yl]pyridine
CID 70755880
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine
CID 70717549
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034995
phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 72845735
1-[4-(imidazol-1-ylmethyl)phenyl]azetidine-3-carboxylic acid
CID 166452538
1-(4-fluorophenyl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-1,4-diazepane
CID 70729491
[6-(azepan-1-yl)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 45228830
(2R)-1-[4-(imidazol-1-ylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371177
(3aR,4R,7aS)-4-ethyl-2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 135117256
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
[(3R)-1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 97150090
[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90514850

Frequently Asked Questions

What is the IUPAC name of [1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone?
The IUPAC name of [1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone (CID 70723601) is [1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone?
The canonical SMILES for [1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone is O=C(c1ccccc1)C1CCCN(c2ccc(Cn3ccnc3)cn2)C1.
What is the InChIKey of [1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone?
The InChIKey is UQECGNCFJPQDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(18-5-2-1-3-6-18)19-7-4-11-25(15-19)20-9-8-17(13-23-20)14-24-12-10-22-16-24/h1-3,5-6,8-10,12-13,16,19H,4,7,11,14-15H2.
What are the key properties of [1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone?
[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone has a molecular weight of 346.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone is sourced from PubChem (CID 70723601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).