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

C19H21F3N4O2 — CID 122517043

IUPAC(3S)-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-/m0/s1
InChIKeyNPNATZWDBSJWKE-HNNXBMFYSA-N
MW394.40 g/mol
LogP3.63
Rot. Bonds4

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

(3S)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide (PubChem CID 122517043) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is (3S)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide
PubChem CID122517043
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name(3S)-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-/m0/s1
InChIKeyNPNATZWDBSJWKE-HNNXBMFYSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide (CID 122517043) is (3S)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-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 (3S)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide?
The InChIKey is NPNATZWDBSJWKE-HNNXBMFYSA-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-/m0/s1.
What are the key properties of (3S)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide?
(3S)-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 (3S)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 122517043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).