2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone

C14H20N2O2 — CID 176781033

IUPAC2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCCC[C@@H]2C)cn1
InChIInChI=1S/C14H20N2O2/c1-11-5-3-4-8-16(11)14(17)9-12-6-7-13(18-2)15-10-12/h6-7,10-11H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyYLCVMQSNCFBWSF-NSHDSACASA-N
MW248.33 g/mol
LogP2.03
Rot. Bonds3

About 2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone

2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone (PubChem CID 176781033) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
PubChem CID176781033
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCCC[C@@H]2C)cn1
InChIInChI=1S/C14H20N2O2/c1-11-5-3-4-8-16(11)14(17)9-12-6-7-13(18-2)15-10-12/h6-7,10-11H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyYLCVMQSNCFBWSF-NSHDSACASA-N
XLogP2.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878
2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 95789080
1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
CID 176809674
N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 24537530
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 94149813
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
N-[(6-methoxy-3-pyridinyl)methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87003003
acetylene;aminomethanol;2-[(6-methoxy-3-pyridinyl)amino]-1-(2-methylpyrrolidin-1-yl)ethanone;pentane
CID 143895737
2-[4-(4-fluorophenoxy)phenyl]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 170963359

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone (CID 176781033) is 2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCCC[C@@H]2C)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is YLCVMQSNCFBWSF-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-5-3-4-8-16(11)14(17)9-12-6-7-13(18-2)15-10-12/h6-7,10-11H,3-5,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 176781033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).