ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate

C19H23N3O2 — CID 133468930

IUPACethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c1-2-24-19(23)17-9-6-12-20-18(17)22-13-10-16(11-14-22)21-15-7-4-3-5-8-15/h3-9,12,16,21H,2,10-11,13-14H2,1H3
InChIKeySFKLBSAUFNDYPP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.34
Rot. Bonds5

About ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate

ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate (PubChem CID 133468930) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate
PubChem CID133468930
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Nameethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c1-2-24-19(23)17-9-6-12-20-18(17)22-13-10-16(11-14-22)21-15-7-4-3-5-8-15/h3-9,12,16,21H,2,10-11,13-14H2,1H3
InChIKeySFKLBSAUFNDYPP-UHFFFAOYSA-N
XLogP3.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate
CID 123284983
ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate
CID 99617166
ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 133469987
ethyl 4-(4-anilinopiperidin-1-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133456924
ethyl 2-[(2R)-2-phenylmorpholin-4-yl]pyridine-3-carboxylate
CID 94179717
ethyl 2-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-3-carboxylate
CID 133471190
ethyl 2-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 124617188
ethyl 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 63309811
ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate
CID 133469048
ethyl 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]pyridine-3-carboxylate
CID 47082849
ethyl 2-[4-(4-bromobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133469644

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate (CID 133468930) is ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate is CCOC(=O)c1cccnc1N1CCC(Nc2ccccc2)CC1.
What is the InChIKey of ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate?
The InChIKey is SFKLBSAUFNDYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-24-19(23)17-9-6-12-20-18(17)22-13-10-16(11-14-22)21-15-7-4-3-5-8-15/h3-9,12,16,21H,2,10-11,13-14H2,1H3.
What are the key properties of ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate?
ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 133468930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).