(4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

C20H24N2O — CID 121451736

IUPAC(4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C20H24N2O/c1-2-16-6-8-18(9-7-16)20(23)22-13-10-17(11-14-22)15-19-5-3-4-12-21-19/h3-9,12,17H,2,10-11,13-15H2,1H3
InChIKeyZIMPBJGNBUTTND-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.74
Rot. Bonds4

About (4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

(4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 121451736) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID121451736
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C20H24N2O/c1-2-16-6-8-18(9-7-16)20(23)22-13-10-17(11-14-22)15-19-5-3-4-12-21-19/h3-9,12,17H,2,10-11,13-15H2,1H3
InChIKeyZIMPBJGNBUTTND-UHFFFAOYSA-N
XLogP3.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[4-(pyridin-2-ylmethyl)piperidine-1-carbonyl]benzoate
CID 122137060
5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
CID 166613705
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110116877
[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 35901272
2,3-dihydro-1-benzofuran-5-yl-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618855
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 121451699
[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102879
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 130315704

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (CID 121451736) is (4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ZIMPBJGNBUTTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-16-6-8-18(9-7-16)20(23)22-13-10-17(11-14-22)15-19-5-3-4-12-21-19/h3-9,12,17H,2,10-11,13-15H2,1H3.
What are the key properties of (4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
(4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 308.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 121451736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).