methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate

C17H22N2O3 — CID 177196515

IUPACmethyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C17H22N2O3/c1-22-17(21)15-9-14(10-18-11-15)12-5-7-19(8-6-12)16(20)13-3-2-4-13/h9-13H,2-8H2,1H3
InChIKeyWDIYDMQRYWGFJG-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.37
Rot. Bonds3

About methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate

methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate (PubChem CID 177196515) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate
PubChem CID177196515
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namemethyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C17H22N2O3/c1-22-17(21)15-9-14(10-18-11-15)12-5-7-19(8-6-12)16(20)13-3-2-4-13/h9-13H,2-8H2,1H3
InChIKeyWDIYDMQRYWGFJG-UHFFFAOYSA-N
XLogP2.37
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate
CID 131276889
methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate
CID 124615102
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125
methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
CID 36801576
methyl 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzoate
CID 176580481
methyl 5-(2-oxocycloheptyl)pyridine-3-carboxylate
CID 68923804
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 5-(3-methoxycarbonyl-2-oxocycloheptyl)pyridine-3-carboxylate
CID 68926532
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid
CID 150860508
5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 177196759
dimethyl 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylbenzene-1,4-dicarboxylate
CID 55906541

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate (CID 177196515) is methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate is COC(=O)c1cncc(C2CCN(C(=O)C3CCC3)CC2)c1.
What is the InChIKey of methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate?
The InChIKey is WDIYDMQRYWGFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-22-17(21)15-9-14(10-18-11-15)12-5-7-19(8-6-12)16(20)13-3-2-4-13/h9-13H,2-8H2,1H3.
What are the key properties of methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate?
methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 177196515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).