N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C18H32F3N3O — CID 86823889

IUPACN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCN1CCN(CC(C)CNC(=O)C2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C18H32F3N3O/c1-3-23-7-9-24(10-8-23)13-14(2)12-22-17(25)15-5-4-6-16(11-15)18(19,20)21/h14-16H,3-13H2,1-2H3,(H,22,25)
InChIKeyNLDXTIDUMULMTQ-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.74
Rot. Bonds6

About N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 86823889) has the molecular formula C18H32F3N3O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID86823889
Molecular FormulaC18H32F3N3O
Molecular Weight363.47 g/mol
Exact Mass363.25
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCN1CCN(CC(C)CNC(=O)C2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C18H32F3N3O/c1-3-23-7-9-24(10-8-23)13-14(2)12-22-17(25)15-5-4-6-16(11-15)18(19,20)21/h14-16H,3-13H2,1-2H3,(H,22,25)
InChIKeyNLDXTIDUMULMTQ-UHFFFAOYSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Cyclohexylcarbonyl)piperazine
CID 3437502
N-[3-(4-methylpiperidin-1-yl)propyl]cyclohexanecarboxamide
CID 45850479
N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanecarboxamide
CID 53515208
2-(1-Cyclohexanecarbonylpiperidin-4-YL)-N-[3-(diethylamino)propyl]acetamide
CID 46295183
2-(1-Cyclohexanecarbonylpiperidin-4-YL)-N-[2-(diethylamino)ethyl]acetamide
CID 46295194
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 56814163
Isooctadecanoic acid, monoamide with piperazine-1-ethylamine
CID 44151024
2,2,2-trifluoro-N-[1-(4-propylpiperidine-1-carbonyl)cyclohexyl]acetamide
CID 57143126
(S)-(4,4-difluorocyclohexyl)(2-methylpiperazin-1-yl)methanone
CID 57657633
(4-Propan-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethylamino)cyclohexyl]methanone
CID 68439349
(4,4-Difluorocyclohexyl)-(2-methylpiperazin-1-yl)methanone
CID 68728760
(4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 68932665

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 86823889) is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is CCN1CCN(CC(C)CNC(=O)C2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is NLDXTIDUMULMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3N3O/c1-3-23-7-9-24(10-8-23)13-14(2)12-22-17(25)15-5-4-6-16(11-15)18(19,20)21/h14-16H,3-13H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 86823889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).