1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone

C18H30F3N3O2 — CID 86842752

IUPAC1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CN(C)CCC(F)(F)F)CC2)C1
InChIInChI=1S/C18H30F3N3O2/c1-14-4-3-8-24(12-14)17(26)15-5-9-23(10-6-15)16(25)13-22(2)11-7-18(19,20)21/h14-15H,3-13H2,1-2H3
InChIKeyUEAOEUBERQLAIT-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.37
Rot. Bonds5

About 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone

1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone (PubChem CID 86842752) has the molecular formula C18H30F3N3O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
PubChem CID86842752
Molecular FormulaC18H30F3N3O2
Molecular Weight377.45 g/mol
Exact Mass377.23
IUPAC Name1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CN(C)CCC(F)(F)F)CC2)C1
InChIInChI=1S/C18H30F3N3O2/c1-14-4-3-8-24(12-14)17(26)15-5-9-23(10-6-15)16(25)13-22(2)11-7-18(19,20)21/h14-15H,3-13H2,1-2H3
InChIKeyUEAOEUBERQLAIT-UHFFFAOYSA-N
XLogP2.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone with MolForge

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Related Compounds

4-(Cyclopropylmethyl)-1-methyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398731
1,4-Dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495669
4-Ethyl-1-methyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495686
2,2,3,3-Tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione
CID 2933321
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53501869
N-[2-(3-methylpiperidin-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53515968
1-[2-(3-Methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 86982330
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 100740257
1-Methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one
CID 128926278
1-Acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide
CID 58307123
(2S)-2-methyl-3-oxo-4-[4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butyl]piperazine-1-carboxylic acid
CID 89568145
2-Methyl-3-oxo-4-[4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butyl]piperazine-1-carboxylic acid
CID 89568147

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone?
The IUPAC name of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone (CID 86842752) is 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone.
What is the SMILES notation for 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone?
The canonical SMILES for 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone is CC1CCCN(C(=O)C2CCN(C(=O)CN(C)CCC(F)(F)F)CC2)C1.
What is the InChIKey of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone?
The InChIKey is UEAOEUBERQLAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3N3O2/c1-14-4-3-8-24(12-14)17(26)15-5-9-23(10-6-15)16(25)13-22(2)11-7-18(19,20)21/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone?
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone has a molecular weight of 377.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone is sourced from PubChem (CID 86842752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).