1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one

C16H23N3O — CID 117436386

IUPAC1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one
SMILESCC(N)C1(c2ccc(N3CCN(C)CC3=O)cc2)CC1
InChIInChI=1S/C16H23N3O/c1-12(17)16(7-8-16)13-3-5-14(6-4-13)19-10-9-18(2)11-15(19)20/h3-6,12H,7-11,17H2,1-2H3
InChIKeyBQKKFQREEOFNIZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.34
Rot. Bonds3

About 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one

1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one (PubChem CID 117436386) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one
PubChem CID117436386
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one
SMILESCC(N)C1(c2ccc(N3CCN(C)CC3=O)cc2)CC1
InChIInChI=1S/C16H23N3O/c1-12(17)16(7-8-16)13-3-5-14(6-4-13)19-10-9-18(2)11-15(19)20/h3-6,12H,7-11,17H2,1-2H3
InChIKeyBQKKFQREEOFNIZ-UHFFFAOYSA-N
XLogP1.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione
CID 117436054
1-[4-(1-isocyanatocyclobutyl)phenyl]-4-methylpiperazin-2-one
CID 117459665
1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one
CID 117431151
ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite
CID 153379478
1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one
CID 134595424
1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117402030
1-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione
CID 117436048
4-(4-aminophenyl)-1-methyl-1,4-diazepan-5-one
CID 83706631
1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine
CID 117327392
2,2-dimethyl-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanoic acid
CID 117469217
4-[[(2S)-2-amino-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanoyl]amino]benzoic acid
CID 163394557
1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117463796

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one?
The IUPAC name of 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one (CID 117436386) is 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one is CC(N)C1(c2ccc(N3CCN(C)CC3=O)cc2)CC1.
What is the InChIKey of 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one?
The InChIKey is BQKKFQREEOFNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(17)16(7-8-16)13-3-5-14(6-4-13)19-10-9-18(2)11-15(19)20/h3-6,12H,7-11,17H2,1-2H3.
What are the key properties of 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one?
1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one has a molecular weight of 273.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one is sourced from PubChem (CID 117436386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).