(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone

C13H18N2O2 — CID 110849089

IUPAC(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ncccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C13H18N2O2/c1-10-5-8-15(9-6-10)13(16)11-4-3-7-14-12(11)17-2/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyZISMDSABOCLZGB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.96
Rot. Bonds2

About (2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone

(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 110849089) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID110849089
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ncccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C13H18N2O2/c1-10-5-8-15(9-6-10)13(16)11-4-3-7-14-12(11)17-2/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyZISMDSABOCLZGB-UHFFFAOYSA-N
XLogP1.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114960651
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 81458525
(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590146
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114801254
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95617040
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 91792821
(2-methoxy-3-pyridinyl)-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090461

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone (CID 110849089) is (2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone is COc1ncccc1C(=O)N1CCC(C)CC1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ZISMDSABOCLZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-5-8-15(9-6-10)13(16)11-4-3-7-14-12(11)17-2/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of (2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110849089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).