N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride

C10H15ClF3N5O — CID 154911401

IUPACN-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1nc(C(F)(F)F)n[nH]1)C1CCCNC1
InChIInChI=1S/C10H14F3N5O.ClH/c11-10(12,13)9-16-7(17-18-9)5-15-8(19)6-2-1-3-14-4-6;/h6,14H,1-5H2,(H,15,19)(H,16,17,18);1H
InChIKeyWQTGOOOIGAPYCD-UHFFFAOYSA-N
MW313.71 g/mol
LogP0.86
Rot. Bonds3

About N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride

N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 154911401) has the molecular formula C10H15ClF3N5O and a molecular weight of 313.71 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID154911401
Molecular FormulaC10H15ClF3N5O
Molecular Weight313.71 g/mol
Exact Mass313.09
IUPAC NameN-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1nc(C(F)(F)F)n[nH]1)C1CCCNC1
InChIInChI=1S/C10H14F3N5O.ClH/c11-10(12,13)9-16-7(17-18-9)5-15-8(19)6-2-1-3-14-4-6;/h6,14H,1-5H2,(H,15,19)(H,16,17,18);1H
InChIKeyWQTGOOOIGAPYCD-UHFFFAOYSA-N
XLogP0.86
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methyl-N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)ethyl]-3-piperidinecarboxamide
CID 72896844
(3S)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 164641363
1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide
CID 45913967
(3S)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide
CID 51963890
(3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide
CID 51963892
piperidin-3-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64576945
(5-ethyl-1H-1,2,4-triazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 80384223
(5-methyl-1H-1,2,4-triazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 80384229
[(3S)-piperidin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 81133707
[(3R)-piperidin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 81133708
3-(1-methylpiperidin-4-yl)-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}propanamide
CID 119058949
1,4-dimethyl-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}piperidine-4-carboxamide
CID 119060581

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride (CID 154911401) is N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1nc(C(F)(F)F)n[nH]1)C1CCCNC1.
What is the InChIKey of N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is WQTGOOOIGAPYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O.ClH/c11-10(12,13)9-16-7(17-18-9)5-15-8(19)6-2-1-3-14-4-6;/h6,14H,1-5H2,(H,15,19)(H,16,17,18);1H.
What are the key properties of N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride?
N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 313.71 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 154911401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).