[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride

C20H27ClF3N3O2 — CID 119491917

IUPAC[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1.Cl
InChIInChI=1S/C20H26F3N3O2.ClH/c1-24-17-3-2-10-26(13-17)19(28)15-8-11-25(12-9-15)18(27)14-4-6-16(7-5-14)20(21,22)23;/h4-7,15,17,24H,2-3,8-13H2,1H3;1H
InChIKeyRMYXQFLSBMVPQO-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.19
Rot. Bonds3

About [3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride

[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride (PubChem CID 119491917) has the molecular formula C20H27ClF3N3O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride
PubChem CID119491917
Molecular FormulaC20H27ClF3N3O2
Molecular Weight433.90 g/mol
Exact Mass433.17
IUPAC Name[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1.Cl
InChIInChI=1S/C20H26F3N3O2.ClH/c1-24-17-3-2-10-26(13-17)19(28)15-8-11-25(12-9-15)18(27)14-4-6-16(7-5-14)20(21,22)23;/h4-7,15,17,24H,2-3,8-13H2,1H3;1H
InChIKeyRMYXQFLSBMVPQO-UHFFFAOYSA-N
XLogP3.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride with MolForge

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Related Compounds

azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 25308165
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119491186
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride (CID 119491917) is [3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride is CNC1CCCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride?
The InChIKey is RMYXQFLSBMVPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2.ClH/c1-24-17-3-2-10-26(13-17)19(28)15-8-11-25(12-9-15)18(27)14-4-6-16(7-5-14)20(21,22)23;/h4-7,15,17,24H,2-3,8-13H2,1H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride has a molecular weight of 433.90 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119491917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).