4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide

C18H30F3N3O2 — CID 154749822

IUPAC4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide
SMILESCC(C)(C)C(=O)N1CCN(C(=O)NCC2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C18H30F3N3O2/c1-17(2,3)15(25)23-8-10-24(11-9-23)16(26)22-12-13-6-4-5-7-14(13)18(19,20)21/h13-14H,4-12H2,1-3H3,(H,22,26)
InChIKeyREICDSDTCIGFLL-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.26
Rot. Bonds2

About 4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide

4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide (PubChem CID 154749822) has the molecular formula C18H30F3N3O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide
PubChem CID154749822
Molecular FormulaC18H30F3N3O2
Molecular Weight377.45 g/mol
Exact Mass377.23
IUPAC Name4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide
SMILESCC(C)(C)C(=O)N1CCN(C(=O)NCC2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C18H30F3N3O2/c1-17(2,3)15(25)23-8-10-24(11-9-23)16(26)22-12-13-6-4-5-7-14(13)18(19,20)21/h13-14H,4-12H2,1-3H3,(H,22,26)
InChIKeyREICDSDTCIGFLL-UHFFFAOYSA-N
XLogP3.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 119343054
4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
CID 110810662
N-[[2-(hydroxymethyl)cyclohexyl]methyl]piperidine-1-carboxamide
CID 79156081
1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111469282
N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide
CID 79163504
tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate
CID 108902696
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 110810660
2,2-dimethyl-1-[4-(trifluoromethyl)azepan-1-yl]propan-1-one
CID 126750313
N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
CID 79162228
tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate
CID 155904648
[2-(trifluoromethyl)cyclohexyl]methylhydrazine
CID 104622067
N-[(2-aminocyclopentyl)methyl]piperidine-1-carboxamide
CID 79155125

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide (CID 154749822) is 4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide is CC(C)(C)C(=O)N1CCN(C(=O)NCC2CCCCC2C(F)(F)F)CC1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide?
The InChIKey is REICDSDTCIGFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3N3O2/c1-17(2,3)15(25)23-8-10-24(11-9-23)16(26)22-12-13-6-4-5-7-14(13)18(19,20)21/h13-14H,4-12H2,1-3H3,(H,22,26).
What are the key properties of 4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide?
4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 154749822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).