[2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C25H36F3N3O — CID 155199461

IUPAC[2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCCNCC1CC1C(=O)N1CCC(c2ccc(C(F)(F)F)cc2N2CCC(C)CC2)CC1
InChIInChI=1S/C25H36F3N3O/c1-3-29-16-19-14-22(19)24(32)31-12-8-18(9-13-31)21-5-4-20(25(26,27)28)15-23(21)30-10-6-17(2)7-11-30/h4-5,15,17-19,22,29H,3,6-14,16H2,1-2H3
InChIKeyBITOLRTVDAQZKI-UHFFFAOYSA-N
MW451.58 g/mol
LogP4.89
Rot. Bonds6

About [2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

[2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 155199461) has the molecular formula C25H36F3N3O and a molecular weight of 451.58 g/mol. Its IUPAC name is [2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID155199461
Molecular FormulaC25H36F3N3O
Molecular Weight451.58 g/mol
Exact Mass451.28
IUPAC Name[2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCCNCC1CC1C(=O)N1CCC(c2ccc(C(F)(F)F)cc2N2CCC(C)CC2)CC1
InChIInChI=1S/C25H36F3N3O/c1-3-29-16-19-14-22(19)24(32)31-12-8-18(9-13-31)21-5-4-20(25(26,27)28)15-23(21)30-10-6-17(2)7-11-30/h4-5,15,17-19,22,29H,3,6-14,16H2,1-2H3
InChIKeyBITOLRTVDAQZKI-UHFFFAOYSA-N
XLogP4.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane
CID 144968555
1-[2-[1-[(3S)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 144968486
(1-tert-butylpyrrolidin-3-yl)-[4-[2-(4-sulfanylpiperazin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 144968407
ethyl 1-[2-[1-[(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 155199270
tert-butyl 4-[2-(3-ethylperoxycarbonylpyrrolidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 130187221
1-[2-[1-[(4R)-1-[2-(dimethylamino)-2-oxoethyl]-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 163684639
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]ethanamine
CID 66475846
1-[2-[1-(1-cyclopentylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 155199171
ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 118550890
1-[2-[1-[(3S,4R)-1-(4-hydroxycyclohexyl)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 148623510
[(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-[4-[2-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 130195879
1-[2-[1-[(4R)-1-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 144968532

Frequently Asked Questions

What is the IUPAC name of [2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of [2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 155199461) is [2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is CCNCC1CC1C(=O)N1CCC(c2ccc(C(F)(F)F)cc2N2CCC(C)CC2)CC1.
What is the InChIKey of [2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is BITOLRTVDAQZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F3N3O/c1-3-29-16-19-14-22(19)24(32)31-12-8-18(9-13-31)21-5-4-20(25(26,27)28)15-23(21)30-10-6-17(2)7-11-30/h4-5,15,17-19,22,29H,3,6-14,16H2,1-2H3.
What are the key properties of [2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
[2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 451.58 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylaminomethyl)cyclopropyl]-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 155199461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).