[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone

C17H22N2O2 — CID 115055887

IUPAC[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone
SMILESNC1(c2ccccc2C2(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C17H22N2O2/c18-17(7-8-17)14-4-2-1-3-13(14)16(5-6-16)15(20)19-9-11-21-12-10-19/h1-4H,5-12,18H2
InChIKeyCFEBCKYJIOHYSF-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.52
Rot. Bonds3

About [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone

[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone (PubChem CID 115055887) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone
PubChem CID115055887
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone
SMILESNC1(c2ccccc2C2(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C17H22N2O2/c18-17(7-8-17)14-4-2-1-3-13(14)16(5-6-16)15(20)19-9-11-21-12-10-19/h1-4H,5-12,18H2
InChIKeyCFEBCKYJIOHYSF-UHFFFAOYSA-N
XLogP1.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone
CID 115055901
[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone
CID 115055897
1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide
CID 115037910
morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617
[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 125003959
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110413122
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-morpholin-4-ylmethanone
CID 113198624
[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone
CID 94676078
2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid
CID 119178898
[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401
[(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone
CID 124593906

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone (CID 115055887) is [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone is NC1(c2ccccc2C2(C(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone?
The InChIKey is CFEBCKYJIOHYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-17(7-8-17)14-4-2-1-3-13(14)16(5-6-16)15(20)19-9-11-21-12-10-19/h1-4H,5-12,18H2.
What are the key properties of [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone?
[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone has a molecular weight of 286.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 115055887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).