N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C16H20F3N7O — CID 126453274

IUPACN-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(N)n[nH]1
InChIInChI=1S/C16H20F3N7O/c1-9(13-23-15(20)25-24-13)22-14(27)10-4-6-26(7-5-10)12-3-2-11(8-21-12)16(17,18)19/h2-3,8-10H,4-7H2,1H3,(H,22,27)(H3,20,23,24,25)/t9-/m0/s1
InChIKeyHAVOUNBGHMLNNT-VIFPVBQESA-N
MW383.38 g/mol
LogP1.89
Rot. Bonds4

About N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 126453274) has the molecular formula C16H20F3N7O and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID126453274
Molecular FormulaC16H20F3N7O
Molecular Weight383.38 g/mol
Exact Mass383.17
IUPAC NameN-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(N)n[nH]1
InChIInChI=1S/C16H20F3N7O/c1-9(13-23-15(20)25-24-13)22-14(27)10-4-6-26(7-5-10)12-3-2-11(8-21-12)16(17,18)19/h2-3,8-10H,4-7H2,1H3,(H,22,27)(H3,20,23,24,25)/t9-/m0/s1
InChIKeyHAVOUNBGHMLNNT-VIFPVBQESA-N
XLogP1.89
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278
N-[(1R)-1-(furan-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9482111
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26313473
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9367840
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9227761
N-[(2R)-2-pyrrolidin-1-ylpropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 92612338
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 30558904
N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43040213
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 130245383
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea
CID 95714073
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 126453274) is N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(N)n[nH]1.
What is the InChIKey of N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is HAVOUNBGHMLNNT-VIFPVBQESA-N. The full InChI is InChI=1S/C16H20F3N7O/c1-9(13-23-15(20)25-24-13)22-14(27)10-4-6-26(7-5-10)12-3-2-11(8-21-12)16(17,18)19/h2-3,8-10H,4-7H2,1H3,(H,22,27)(H3,20,23,24,25)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 126453274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).