[5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone

C17H21F3N2O2 — CID 154759205

IUPAC[5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone
SMILESNC1CCC(C(F)(F)F)N(C(=O)c2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)15-8-5-13(21)9-22(15)16(23)12-3-6-14(7-4-12)24-10-11-1-2-11/h3-4,6-7,11,13,15H,1-2,5,8-10,21H2
InChIKeyGQBVYJKTZIRFIO-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.97
Rot. Bonds4

About [5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone

[5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone (PubChem CID 154759205) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is [5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone
PubChem CID154759205
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name[5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone
SMILESNC1CCC(C(F)(F)F)N(C(=O)c2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)15-8-5-13(21)9-22(15)16(23)12-3-6-14(7-4-12)24-10-11-1-2-11/h3-4,6-7,11,13,15H,1-2,5,8-10,21H2
InChIKeyGQBVYJKTZIRFIO-UHFFFAOYSA-N
XLogP2.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 129353807
[(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 129353604
(2R)-1-[4-(cyclopropylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370683
(2S,4R)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 118147792
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile
CID 51100209
[4-(cyclopropylmethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471413
(3S,4S)-1-[4-(cyclopropylmethoxy)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952218
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
2-amino-1-[1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]piperidin-2-yl]ethanone
CID 123235337
1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxamide
CID 123418930

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone?
The IUPAC name of [5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone (CID 154759205) is [5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone.
What is the SMILES notation for [5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone?
The canonical SMILES for [5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone is NC1CCC(C(F)(F)F)N(C(=O)c2ccc(OCC3CC3)cc2)C1.
What is the InChIKey of [5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone?
The InChIKey is GQBVYJKTZIRFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)15-8-5-13(21)9-22(15)16(23)12-3-6-14(7-4-12)24-10-11-1-2-11/h3-4,6-7,11,13,15H,1-2,5,8-10,21H2.
What are the key properties of [5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone?
[5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone has a molecular weight of 342.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone is sourced from PubChem (CID 154759205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).