(3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide

C8H14F2N2O — CID 115406934

IUPAC(3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)F)[C@H]1CCCNC1
InChIInChI=1S/C8H14F2N2O/c9-7(10)5-12-8(13)6-2-1-3-11-4-6/h6-7,11H,1-5H2,(H,12,13)/t6-/m0/s1
InChIKeyQUGHBOASUQYNRB-LURJTMIESA-N
MW192.21 g/mol
LogP0.37
Rot. Bonds3

About (3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide

(3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide (PubChem CID 115406934) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is (3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide
PubChem CID115406934
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name(3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)F)[C@H]1CCCNC1
InChIInChI=1S/C8H14F2N2O/c9-7(10)5-12-8(13)6-2-1-3-11-4-6/h6-7,11H,1-5H2,(H,12,13)/t6-/m0/s1
InChIKeyQUGHBOASUQYNRB-LURJTMIESA-N
XLogP0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide (CID 115406934) is (3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)F)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide?
The InChIKey is QUGHBOASUQYNRB-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F2N2O/c9-7(10)5-12-8(13)6-2-1-3-11-4-6/h6-7,11H,1-5H2,(H,12,13)/t6-/m0/s1.
What are the key properties of (3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide?
(3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide has a molecular weight of 192.21 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 115406934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).