3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one

C13H25N3O — CID 119145626

IUPAC3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(NCCC(=O)N1CCN(C)CC1)C1CC1
InChIInChI=1S/C13H25N3O/c1-11(12-3-4-12)14-6-5-13(17)16-9-7-15(2)8-10-16/h11-12,14H,3-10H2,1-2H3
InChIKeyRNKKVHDONLNUJY-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.54
Rot. Bonds5

About 3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one

3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 119145626) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID119145626
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(NCCC(=O)N1CCN(C)CC1)C1CC1
InChIInChI=1S/C13H25N3O/c1-11(12-3-4-12)14-6-5-13(17)16-9-7-15(2)8-10-16/h11-12,14H,3-10H2,1-2H3
InChIKeyRNKKVHDONLNUJY-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203458
1-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60850574
1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
CID 115714222
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide
CID 43308231
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
(2S)-2-amino-3-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 119849548
ethyl 2-[1-(1-methylpiperidin-4-yl)ethylamino]acetate
CID 60811226
4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride
CID 120564659
1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 62930053
3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109013070

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one (CID 119145626) is 3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one is CC(NCCC(=O)N1CCN(C)CC1)C1CC1.
What is the InChIKey of 3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is RNKKVHDONLNUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(12-3-4-12)14-6-5-13(17)16-9-7-15(2)8-10-16/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one?
3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 119145626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).