[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone

C20H33F3N2O — CID 97023778

IUPAC[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CCN(C[C@@H]2CCCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)C2)CC1
InChIInChI=1S/C20H33F3N2O/c1-15-7-10-24(11-8-15)13-16-4-3-9-25(14-16)19(26)17-5-2-6-18(12-17)20(21,22)23/h15-18H,2-14H2,1H3/t16-,17+,18-/m0/s1
InChIKeyUQRSQANWYFCMSK-KSZLIROESA-N
MW374.49 g/mol
LogP4.33
Rot. Bonds3

About [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone

[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 97023778) has the molecular formula C20H33F3N2O and a molecular weight of 374.49 g/mol. Its IUPAC name is [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID97023778
Molecular FormulaC20H33F3N2O
Molecular Weight374.49 g/mol
Exact Mass374.25
IUPAC Name[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CCN(C[C@@H]2CCCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)C2)CC1
InChIInChI=1S/C20H33F3N2O/c1-15-7-10-24(11-8-15)13-16-4-3-9-25(14-16)19(26)17-5-2-6-18(12-17)20(21,22)23/h15-18H,2-14H2,1H3/t16-,17+,18-/m0/s1
InChIKeyUQRSQANWYFCMSK-KSZLIROESA-N
XLogP4.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone with MolForge

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Related Compounds

[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 71881171
[3-(2-chloroethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 114801187
(3-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875727
(4-tert-butylazepan-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102557378
[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081454
(3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119564483
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 119867587
[3-(1-aminoethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 115969513
cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97005184
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 124504890
[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95734324
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone (CID 97023778) is [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone is CC1CCN(C[C@@H]2CCCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)C2)CC1.
What is the InChIKey of [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is UQRSQANWYFCMSK-KSZLIROESA-N. The full InChI is InChI=1S/C20H33F3N2O/c1-15-7-10-24(11-8-15)13-16-4-3-9-25(14-16)19(26)17-5-2-6-18(12-17)20(21,22)23/h15-18H,2-14H2,1H3/t16-,17+,18-/m0/s1.
What are the key properties of [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 374.49 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 97023778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).