N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C16H19F2N5O — CID 138033852

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(C(F)F)cc1)N1CCCCC1c1ncn[nH]1
InChIInChI=1S/C16H19F2N5O/c17-14(18)12-6-4-11(5-7-12)9-19-16(24)23-8-2-1-3-13(23)15-20-10-21-22-15/h4-7,10,13-14H,1-3,8-9H2,(H,19,24)(H,20,21,22)
InChIKeyIPTZBNHPYZCGDU-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.18
Rot. Bonds4

About N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 138033852) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID138033852
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(C(F)F)cc1)N1CCCCC1c1ncn[nH]1
InChIInChI=1S/C16H19F2N5O/c17-14(18)12-6-4-11(5-7-12)9-19-16(24)23-8-2-1-3-13(23)15-20-10-21-22-15/h4-7,10,13-14H,1-3,8-9H2,(H,19,24)(H,20,21,22)
InChIKeyIPTZBNHPYZCGDU-UHFFFAOYSA-N
XLogP3.18
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97346259
N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75397898
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076857
3,4-difluoro-N-[2-oxo-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]benzamide
CID 99616208
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
1-[4-[2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 84594447
(3-tert-butylcyclobutyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128664958
[3-(hydroxymethyl)phenyl]-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129351286
N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75518851
1H-pyrrol-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97332578
2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
CID 141039818
(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97347741

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 138033852) is N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(NCc1ccc(C(F)F)cc1)N1CCCCC1c1ncn[nH]1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is IPTZBNHPYZCGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c17-14(18)12-6-4-11(5-7-12)9-19-16(24)23-8-2-1-3-13(23)15-20-10-21-22-15/h4-7,10,13-14H,1-3,8-9H2,(H,19,24)(H,20,21,22).
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138033852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).