ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate

C15H19N3O2 — CID 129362508

IUPACethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC([C@@H](C#N)c2cccnc2)CC1
InChIInChI=1S/C15H19N3O2/c1-2-20-15(19)18-8-5-12(6-9-18)14(10-16)13-4-3-7-17-11-13/h3-4,7,11-12,14H,2,5-6,8-9H2,1H3/t14-/m1/s1
InChIKeyATPZVRRAZNWBNX-CQSZACIVSA-N
MW273.34 g/mol
LogP2.56
Rot. Bonds3

About ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate

ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate (PubChem CID 129362508) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate
PubChem CID129362508
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC([C@@H](C#N)c2cccnc2)CC1
InChIInChI=1S/C15H19N3O2/c1-2-20-15(19)18-8-5-12(6-9-18)14(10-16)13-4-3-7-17-11-13/h3-4,7,11-12,14H,2,5-6,8-9H2,1H3/t14-/m1/s1
InChIKeyATPZVRRAZNWBNX-CQSZACIVSA-N
XLogP2.56
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-cyano-2-pyridin-3-ylacetate
CID 86324961
tert-butyl N-[(1S)-2-[4-[cyano(pyridin-3-yl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 22853652
ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate
CID 110753942
2-cyclohexyl-2-pyridin-3-ylacetonitrile
CID 82931254
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 110706271
ethyl 3-pyridin-3-ylpentanoate
CID 171747994
ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
CID 19697901
ethyl 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-pyridin-3-ylacetate
CID 59570519
ethyl 4-[[N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111023362
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate (CID 129362508) is ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC([C@@H](C#N)c2cccnc2)CC1.
What is the InChIKey of ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate?
The InChIKey is ATPZVRRAZNWBNX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-20-15(19)18-8-5-12(6-9-18)14(10-16)13-4-3-7-17-11-13/h3-4,7,11-12,14H,2,5-6,8-9H2,1H3/t14-/m1/s1.
What are the key properties of ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate?
ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 129362508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).