methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate

C16H23N3O2 — CID 66285504

IUPACmethyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N2CCC(C3CCCN3)CC2)ccn1
InChIInChI=1S/C16H23N3O2/c1-21-16(20)15-11-13(4-8-18-15)19-9-5-12(6-10-19)14-3-2-7-17-14/h4,8,11-12,14,17H,2-3,5-7,9-10H2,1H3
InChIKeyMDFAATYCUVYFLW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.84
Rot. Bonds3

About methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate

methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate (PubChem CID 66285504) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate
PubChem CID66285504
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namemethyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N2CCC(C3CCCN3)CC2)ccn1
InChIInChI=1S/C16H23N3O2/c1-21-16(20)15-11-13(4-8-18-15)19-9-5-12(6-10-19)14-3-2-7-17-14/h4,8,11-12,14,17H,2-3,5-7,9-10H2,1H3
InChIKeyMDFAATYCUVYFLW-UHFFFAOYSA-N
XLogP1.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyridine-2-carboxylate
CID 102683433
methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 66287702
methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate
CID 115538410
4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide
CID 102683782
4-methyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257496
methyl 4-(piperidin-2-ylmethylamino)pyridine-2-carboxylate
CID 66285496
2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 55167443
N-ethyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-2-carboxamide
CID 62275462
methyl 2-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-1-methylbenzimidazole-5-carboxylate;dihydrochloride
CID 154920576
methyl 3-[(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylmethyl]benzoate;hydrochloride
CID 120714285
3-chloro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257582
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid
CID 43620518

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate (CID 66285504) is methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate is COC(=O)c1cc(N2CCC(C3CCCN3)CC2)ccn1.
What is the InChIKey of methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate?
The InChIKey is MDFAATYCUVYFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-16(20)15-11-13(4-8-18-15)19-9-5-12(6-10-19)14-3-2-7-17-14/h4,8,11-12,14,17H,2-3,5-7,9-10H2,1H3.
What are the key properties of methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate?
methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 66285504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).