(3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

C18H22FN5O — CID 31017640

IUPAC(3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC[C@@H](Cn2cc(C3CC3)nn2)C1
InChIInChI=1S/C18H22FN5O/c19-15-5-1-2-6-16(15)20-18(25)23-9-3-4-13(10-23)11-24-12-17(21-22-24)14-7-8-14/h1-2,5-6,12-14H,3-4,7-11H2,(H,20,25)/t13-/m1/s1
InChIKeyNTQCGCVJMMXXHR-CYBMUJFWSA-N
MW343.41 g/mol
LogP3.24
Rot. Bonds4

About (3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

(3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 31017640) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is (3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
PubChem CID31017640
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name(3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC[C@@H](Cn2cc(C3CC3)nn2)C1
InChIInChI=1S/C18H22FN5O/c19-15-5-1-2-6-16(15)20-18(25)23-9-3-4-13(10-23)11-24-12-17(21-22-24)14-7-8-14/h1-2,5-6,12-14H,3-4,7-11H2,(H,20,25)/t13-/m1/s1
InChIKeyNTQCGCVJMMXXHR-CYBMUJFWSA-N
XLogP3.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)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-[[(3S)-1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95125167
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
[3-[(4-cyclopropyltriazol-1-yl)methyl]azepan-1-yl]-[(1S)-2,2-difluorocyclopropyl]methanone
CID 146153493
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
[3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 46999489
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
3-acetamido-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 47258071
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 163353441
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide (CID 31017640) is (3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCC[C@@H](Cn2cc(C3CC3)nn2)C1.
What is the InChIKey of (3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is NTQCGCVJMMXXHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22FN5O/c19-15-5-1-2-6-16(15)20-18(25)23-9-3-4-13(10-23)11-24-12-17(21-22-24)14-7-8-14/h1-2,5-6,12-14H,3-4,7-11H2,(H,20,25)/t13-/m1/s1.
What are the key properties of (3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
(3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 31017640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).