N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide

C17H22FN5O2 — CID 30869440

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(n2cc(CO)nn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H22FN5O2/c1-12(13-2-4-14(18)5-3-13)19-17(25)22-8-6-16(7-9-22)23-10-15(11-24)20-21-23/h2-5,10,12,16,24H,6-9,11H2,1H3,(H,19,25)/t12-/m1/s1
InChIKeyMETMQJYZKNPPOI-GFCCVEGCSA-N
MW347.39 g/mol
LogP2.02
Rot. Bonds4

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide (PubChem CID 30869440) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide
PubChem CID30869440
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(n2cc(CO)nn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H22FN5O2/c1-12(13-2-4-14(18)5-3-13)19-17(25)22-8-6-16(7-9-22)23-10-15(11-24)20-21-23/h2-5,10,12,16,24H,6-9,11H2,1H3,(H,19,25)/t12-/m1/s1
InChIKeyMETMQJYZKNPPOI-GFCCVEGCSA-N
XLogP2.02
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-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

1-[4-[4-(Hydroxymethyl)triazol-1-yl]phenyl]-3-(o-tolyl)urea
CID 122455310
US10829480, Example SC_2144
CID 130202388
(3R,6R)-N-[(4-fluorophenyl)methyl]-6-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 44716083
3-{[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]methyl}-N-isopropyl-1-piperidinecarboxamide
CID 45194281
3-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-N-[2-(4-fluorophenyl)ethyl]-1-piperidinecarboxamide
CID 45214614
N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62401095
[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]triazol-4-yl]methanol
CID 71732745
4-(4-benzyl-1H-1,2,3-triazol-1-yl)-N-(4-fluorophenyl)-1-piperidinecarboxamide
CID 31074756
(R)-(1-(2-((3,3-diphenylallyl)(1-(4-fluorophenyl)ethyl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methanol
CID 155689930
2-[2-(4-Phenyl-1H-1,2,3-triazol-1-YL)ethyl]-N-(propan-2-YL)piperidine-1-carboxamide
CID 124079035
2-[2-(4-Phenyl-1H-1,2,3-triazol-1-YL)ethyl]-N-propylpiperidine-1-carboxamide
CID 124079036
N-[(1-{[1-(2-fluoro-5-methylbenzyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]urea
CID 28330704

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide (CID 30869440) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide is C[C@@H](NC(=O)N1CCC(n2cc(CO)nn2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide?
The InChIKey is METMQJYZKNPPOI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-12(13-2-4-14(18)5-3-13)19-17(25)22-8-6-16(7-9-22)23-10-15(11-24)20-21-23/h2-5,10,12,16,24H,6-9,11H2,1H3,(H,19,25)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 30869440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).