1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone

C19H22N2O — CID 99973517

IUPAC1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESCc1ccccc1[C@H]1CCCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C19H22N2O/c1-15-7-2-3-10-18(15)16-8-6-12-21(14-16)19(22)13-17-9-4-5-11-20-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3/t16-/m0/s1
InChIKeyGBSAAPUHZOHFDC-INIZCTEOSA-N
MW294.40 g/mol
LogP3.34
Rot. Bonds3

About 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone

1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 99973517) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
PubChem CID99973517
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESCc1ccccc1[C@H]1CCCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C19H22N2O/c1-15-7-2-3-10-18(15)16-8-6-12-21(14-16)19(22)13-17-9-4-5-11-20-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3/t16-/m0/s1
InChIKeyGBSAAPUHZOHFDC-INIZCTEOSA-N
XLogP3.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110237598
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809803
1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110263455
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
CID 28769074
3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217928
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-pyridin-2-ylacetamide
CID 91841060
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 70730087
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110255036
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819091
1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819094

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone (CID 99973517) is 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone is Cc1ccccc1[C@H]1CCCN(C(=O)Cc2ccccn2)C1.
What is the InChIKey of 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is GBSAAPUHZOHFDC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-7-2-3-10-18(15)16-8-6-12-21(14-16)19(22)13-17-9-4-5-11-20-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone?
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 294.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 99973517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).