2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone

C20H24N2O — CID 110373483

IUPAC2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
SMILESCc1ccccc1C(C(=O)N1CCC(C)CC1)c1ccccn1
InChIInChI=1S/C20H24N2O/c1-15-10-13-22(14-11-15)20(23)19(18-9-5-6-12-21-18)17-8-4-3-7-16(17)2/h3-9,12,15,19H,10-11,13-14H2,1-2H3
InChIKeyPUBOYFKCOJRAIE-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.78
Rot. Bonds3

About 2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone

2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone (PubChem CID 110373483) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
PubChem CID110373483
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
SMILESCc1ccccc1C(C(=O)N1CCC(C)CC1)c1ccccn1
InChIInChI=1S/C20H24N2O/c1-15-10-13-22(14-11-15)20(23)19(18-9-5-6-12-21-18)17-8-4-3-7-16(17)2/h3-9,12,15,19H,10-11,13-14H2,1-2H3
InChIKeyPUBOYFKCOJRAIE-UHFFFAOYSA-N
XLogP3.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone
CID 110373502
2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
CID 82040348
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373433
2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332
2-(4-methylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82040271
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)-2-pyridin-2-ylacetamide
CID 110373519
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde
CID 110373346
(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone
CID 110681807
1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone
CID 43223671
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone (CID 110373483) is 2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone is Cc1ccccc1C(C(=O)N1CCC(C)CC1)c1ccccn1.
What is the InChIKey of 2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The InChIKey is PUBOYFKCOJRAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-10-13-22(14-11-15)20(23)19(18-9-5-6-12-21-18)17-8-4-3-7-16(17)2/h3-9,12,15,19H,10-11,13-14H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone?
2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone has a molecular weight of 308.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 110373483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).