(2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide

C16H19F2N5O — CID 171359790

IUPAC(2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cn(Cc2ccccc2)nn1)N1CCCC[C@H]1C(F)F
InChIInChI=1S/C16H19F2N5O/c17-15(18)13-8-4-5-9-23(13)16(24)19-14-11-22(21-20-14)10-12-6-2-1-3-7-12/h1-3,6-7,11,13,15H,4-5,8-10H2,(H,19,24)/t13-/m0/s1
InChIKeyVUBOLDQIOHSJJH-ZDUSSCGKSA-N
MW335.36 g/mol
LogP2.98
Rot. Bonds4

About (2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide

(2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide (PubChem CID 171359790) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is (2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide
PubChem CID171359790
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name(2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cn(Cc2ccccc2)nn1)N1CCCC[C@H]1C(F)F
InChIInChI=1S/C16H19F2N5O/c17-15(18)13-8-4-5-9-23(13)16(24)19-14-11-22(21-20-14)10-12-6-2-1-3-7-12/h1-3,6-7,11,13,15H,4-5,8-10H2,(H,19,24)/t13-/m0/s1
InChIKeyVUBOLDQIOHSJJH-ZDUSSCGKSA-N
XLogP2.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide (CID 171359790) is (2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide is O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCC[C@H]1C(F)F.
What is the InChIKey of (2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide?
The InChIKey is VUBOLDQIOHSJJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19F2N5O/c17-15(18)13-8-4-5-9-23(13)16(24)19-14-11-22(21-20-14)10-12-6-2-1-3-7-12/h1-3,6-7,11,13,15H,4-5,8-10H2,(H,19,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide?
(2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 171359790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).