cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone

C17H24N2O2 — CID 165435335

IUPACcyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCN(CCOc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c20-17(15-7-8-15)19-10-4-9-18(11-12-19)13-14-21-16-5-2-1-3-6-16/h1-3,5-6,15H,4,7-14H2
InChIKeyRCHINLDTFCHLIK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds5

About cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone

cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 165435335) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
PubChem CID165435335
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namecyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCN(CCOc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c20-17(15-7-8-15)19-10-4-9-18(11-12-19)13-14-21-16-5-2-1-3-6-16/h1-3,5-6,15H,4,7-14H2
InChIKeyRCHINLDTFCHLIK-UHFFFAOYSA-N
XLogP2.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylsulfonylpiperidin-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55395381
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[4-(4-benzyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 55856431
[4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119832969
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
[4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 51934537
1-[4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55909848
cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
CID 95934856
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone
CID 10315209
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone (CID 165435335) is cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone is O=C(C1CC1)N1CCCN(CCOc2ccccc2)CC1.
What is the InChIKey of cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is RCHINLDTFCHLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(15-7-8-15)19-10-4-9-18(11-12-19)13-14-21-16-5-2-1-3-6-16/h1-3,5-6,15H,4,7-14H2.
What are the key properties of cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone?
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 165435335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).