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

C13H17ClN2O2 — CID 107392246

IUPAC(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cccnc2Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-13(18-2)6-4-8-16(9-13)12(17)10-5-3-7-15-11(10)14/h3,5,7H,4,6,8-9H2,1-2H3
InChIKeyWBUQRJRIMLOCDZ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.38
Rot. Bonds2

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

(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107392246) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107392246
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cccnc2Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-13(18-2)6-4-8-16(9-13)12(17)10-5-3-7-15-11(10)14/h3,5,7H,4,6,8-9H2,1-2H3
InChIKeyWBUQRJRIMLOCDZ-UHFFFAOYSA-N
XLogP2.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 107392530
(2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392968
(3-chloro-2-nitrophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392248
(3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 107392798
(2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812646
[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107523372
3,4-dihydro-2H-1,4-benzoxazin-8-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392487
[5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394875
1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133754
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394146
(3-methoxy-3-methylpiperidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107396054

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107392246) is (2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2cccnc2Cl)C1.
What is the InChIKey of (2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is WBUQRJRIMLOCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(18-2)6-4-8-16(9-13)12(17)10-5-3-7-15-11(10)14/h3,5,7H,4,6,8-9H2,1-2H3.
What are the key properties of (2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 268.74 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107392246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).