[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone

C17H23N3O — CID 115055897

IUPAC[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone
SMILESNC1(c2ccccc2C2(C(=O)N3CCNCC3)CC2)CC1
InChIInChI=1S/C17H23N3O/c18-17(7-8-17)14-4-2-1-3-13(14)16(5-6-16)15(21)20-11-9-19-10-12-20/h1-4,19H,5-12,18H2
InChIKeySQSVRKNSBYSDSU-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.10
Rot. Bonds3

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

[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone (PubChem CID 115055897) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone
PubChem CID115055897
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone
SMILESNC1(c2ccccc2C2(C(=O)N3CCNCC3)CC2)CC1
InChIInChI=1S/C17H23N3O/c18-17(7-8-17)14-4-2-1-3-13(14)16(5-6-16)15(21)20-11-9-19-10-12-20/h1-4,19H,5-12,18H2
InChIKeySQSVRKNSBYSDSU-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
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]-morpholin-4-ylmethanone
CID 115055887
[1-(2-chlorophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 95483027
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide
CID 115037910
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620383
[1-(4-aminophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 112558251
[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401763
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone?
The IUPAC name of [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone (CID 115055897) is [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone is NC1(c2ccccc2C2(C(=O)N3CCNCC3)CC2)CC1.
What is the InChIKey of [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone?
The InChIKey is SQSVRKNSBYSDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-17(7-8-17)14-4-2-1-3-13(14)16(5-6-16)15(21)20-11-9-19-10-12-20/h1-4,19H,5-12,18H2.
What are the key properties of [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone?
[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone has a molecular weight of 285.39 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 115055897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).