cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone

C19H23F3N2O2 — CID 110797847

IUPACcyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H23F3N2O2/c20-19(21,22)16-8-6-15(7-9-16)18(26)24-11-3-10-23(12-13-24)17(25)14-4-1-2-5-14/h6-9,14H,1-5,10-13H2
InChIKeyPETLJAZWGWLSPD-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.57
Rot. Bonds2

About cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone

cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone (PubChem CID 110797847) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
PubChem CID110797847
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Namecyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H23F3N2O2/c20-19(21,22)16-8-6-15(7-9-16)18(26)24-11-3-10-23(12-13-24)17(25)14-4-1-2-5-14/h6-9,14H,1-5,10-13H2
InChIKeyPETLJAZWGWLSPD-UHFFFAOYSA-N
XLogP3.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
(4-cyclopentylpiperazin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55584059
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46413405
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 46688999
[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride
CID 119491917
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone (CID 110797847) is cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is PETLJAZWGWLSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c20-19(21,22)16-8-6-15(7-9-16)18(26)24-11-3-10-23(12-13-24)17(25)14-4-1-2-5-14/h6-9,14H,1-5,10-13H2.
What are the key properties of cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone?
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 368.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 110797847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).