(4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone

C19H19F3N2O3S — CID 47087921

IUPAC(4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1S(=O)(=O)C(F)(F)F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)28(26,27)17-16(7-4-10-23-17)18(25)24-11-8-15(9-12-24)13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2
InChIKeyHNOWSDCCNIWVQU-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.47
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone

(4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone (PubChem CID 47087921) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone
PubChem CID47087921
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name(4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1S(=O)(=O)C(F)(F)F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)28(26,27)17-16(7-4-10-23-17)18(25)24-11-8-15(9-12-24)13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2
InChIKeyHNOWSDCCNIWVQU-UHFFFAOYSA-N
XLogP3.47
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53162861
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 55479260
N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 56502374
2-[[3-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 23936819
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 166451739
2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 114037536
3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 43996144

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone (CID 47087921) is (4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone is O=C(c1cccnc1S(=O)(=O)C(F)(F)F)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone?
The InChIKey is HNOWSDCCNIWVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c20-19(21,22)28(26,27)17-16(7-4-10-23-17)18(25)24-11-8-15(9-12-24)13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone?
(4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone has a molecular weight of 412.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone is sourced from PubChem (CID 47087921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).