[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone

C17H22F3N3O2 — CID 54591744

IUPAC[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cccc(N2CCCCC2)n1)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)16(25)8-5-11-23(12-16)15(24)13-6-4-7-14(21-13)22-9-2-1-3-10-22/h4,6-7,25H,1-3,5,8-12H2
InChIKeyMVADAAOCKCOPAD-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.60
Rot. Bonds2

About [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone

[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone (PubChem CID 54591744) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone
PubChem CID54591744
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cccc(N2CCCCC2)n1)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)16(25)8-5-11-23(12-16)15(24)13-6-4-7-14(21-13)22-9-2-1-3-10-22/h4,6-7,25H,1-3,5,8-12H2
InChIKeyMVADAAOCKCOPAD-UHFFFAOYSA-N
XLogP2.60
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 67464734
N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 67466571
N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 67467847
Pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2999969
2-(3-Hydroxy-1,4'-bipiperidin-1'-yl)-6-(trifluoromethyl)nicotinamide
CID 70728786
2-(2-Hydroxyethyl)-9-[6-(trifluoromethyl)pyridin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70734048
1-(6-Carbamoylpyridin-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 145867408
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 25295080
6-[(3S*,4S*)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 72838894
(5,6-dimethyl-2-pyridinyl)-[(3S)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 164638491
[(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 164639307
6-[4-[[(1R)-1-[(3S)-piperidin-3-yl]ethyl]carbamoyl]piperidin-1-yl]pyridine-2-carboxamide
CID 177662360

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone (CID 54591744) is [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone is O=C(c1cccc(N2CCCCC2)n1)N1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone?
The InChIKey is MVADAAOCKCOPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)16(25)8-5-11-23(12-16)15(24)13-6-4-7-14(21-13)22-9-2-1-3-10-22/h4,6-7,25H,1-3,5,8-12H2.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone?
[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone has a molecular weight of 357.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 54591744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).