1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one

C12H23N3O — CID 79202628

IUPAC1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C12H23N3O/c1-10(9-13-2)12(16)15-7-5-14(6-8-15)11-3-4-11/h10-11,13H,3-9H2,1-2H3
InChIKeyDJUHIWCESPSTHL-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.15
Rot. Bonds4

About 1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one

1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 79202628) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID79202628
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C12H23N3O/c1-10(9-13-2)12(16)15-7-5-14(6-8-15)11-3-4-11/h10-11,13H,3-9H2,1-2H3
InChIKeyDJUHIWCESPSTHL-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one
CID 119887481
1-(4-cyclopropylpiperazin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62851691
2-methyl-3-(methylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119858297
1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196326
1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one
CID 107024691
2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one
CID 119708836
2-methyl-3-(methylamino)-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738900
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 79201880
2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride
CID 119858160
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 79196742
2-methyl-3-(methylamino)-1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 119822280
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide
CID 79201762

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one (CID 79202628) is 1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is DJUHIWCESPSTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(9-13-2)12(16)15-7-5-14(6-8-15)11-3-4-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 225.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 79202628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).