ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate

C15H18FN3O2 — CID 95306784

IUPACethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1
InChIInChI=1S/C15H18FN3O2/c1-2-21-15(20)18-12-4-3-7-19(10-12)14-6-5-11(9-17)8-13(14)16/h5-6,8,12H,2-4,7,10H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyQVCLHLDAWJBHAB-GFCCVEGCSA-N
MW291.33 g/mol
LogP2.41
Rot. Bonds3

About ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate

ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate (PubChem CID 95306784) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate
PubChem CID95306784
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Nameethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1
InChIInChI=1S/C15H18FN3O2/c1-2-21-15(20)18-12-4-3-7-19(10-12)14-6-5-11(9-17)8-13(14)16/h5-6,8,12H,2-4,7,10H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyQVCLHLDAWJBHAB-GFCCVEGCSA-N
XLogP2.41
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate (CID 95306784) is ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate is CCOC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1.
What is the InChIKey of ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate?
The InChIKey is QVCLHLDAWJBHAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-2-21-15(20)18-12-4-3-7-19(10-12)14-6-5-11(9-17)8-13(14)16/h5-6,8,12H,2-4,7,10H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate?
ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate has a molecular weight of 291.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 95306784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).