(3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide

C19H21F3N4O2 — CID 122517020

IUPAC(3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide
SMILESNCc1cc(O[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)16-9-13(11-23)10-17(25-16)28-15-7-4-8-26(12-15)18(27)24-14-5-2-1-3-6-14/h1-3,5-6,9-10,15H,4,7-8,11-12,23H2,(H,24,27)/t15-/m1/s1
InChIKeyNPNATZWDBSJWKE-OAHLLOKOSA-N
MW394.40 g/mol
LogP3.63
Rot. Bonds4

About (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide

(3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide (PubChem CID 122517020) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide
PubChem CID122517020
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name(3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide
SMILESNCc1cc(O[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)16-9-13(11-23)10-17(25-16)28-15-7-4-8-26(12-15)18(27)24-14-5-2-1-3-6-14/h1-3,5-6,9-10,15H,4,7-8,11-12,23H2,(H,24,27)/t15-/m1/s1
InChIKeyNPNATZWDBSJWKE-OAHLLOKOSA-N
XLogP3.63
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylpiperidine-1-carboxamide
CID 122517043
2-(pyridin-3-yloxymethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 90643567
1-[[2-hexoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162643240
1-[[2-(cyclobutylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162664723
1-(2-oxo-1H-quinolin-5-yl)-3-[[2-pentoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 162668067
1-[[2-(2-methylpropoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162672602
1-[[2-butoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162672721
1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162673718
N-ethyl-N-(3-methylphenyl)-2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetamide
CID 168271423
1-(3-(Trifluoromethyl)phenyl)-3-((1r,4r)-4-((5-(trifluoromethyl)pyridin-2-yl)oxy)cyclohexyl)urea
CID 92095069
1-[[2-methoxy-6-(trifluoromethyl)-3-pyridyl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
CID 53476700
N-[4-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510877

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide (CID 122517020) is (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide is NCc1cc(O[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)nc(C(F)(F)F)c1.
What is the InChIKey of (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide?
The InChIKey is NPNATZWDBSJWKE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c20-19(21,22)16-9-13(11-23)10-17(25-16)28-15-7-4-8-26(12-15)18(27)24-14-5-2-1-3-6-14/h1-3,5-6,9-10,15H,4,7-8,11-12,23H2,(H,24,27)/t15-/m1/s1.
What are the key properties of (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide?
(3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 122517020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).