1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one

C13H22N4O — CID 115414583

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one
SMILESCN1CCN(C)C(CC(=O)Cc2cnn(C)c2)C1
InChIInChI=1S/C13H22N4O/c1-15-4-5-16(2)12(10-15)7-13(18)6-11-8-14-17(3)9-11/h8-9,12H,4-7,10H2,1-3H3
InChIKeyKMOGXDBIQUXCRF-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.17
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one

1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one (PubChem CID 115414583) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one
PubChem CID115414583
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one
SMILESCN1CCN(C)C(CC(=O)Cc2cnn(C)c2)C1
InChIInChI=1S/C13H22N4O/c1-15-4-5-16(2)12(10-15)7-13(18)6-11-8-14-17(3)9-11/h8-9,12H,4-7,10H2,1-3H3
InChIKeyKMOGXDBIQUXCRF-UHFFFAOYSA-N
XLogP0.17
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116557707
1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one
CID 115414666
1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414552
1-ethylsulfanyl-3-(1-methylpyrazol-4-yl)propan-2-one
CID 65130546
4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116555966
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
CID 114197551
1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116588939
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 103558759
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64616119
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 127310921

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one (CID 115414583) is 1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one is CN1CCN(C)C(CC(=O)Cc2cnn(C)c2)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one?
The InChIKey is KMOGXDBIQUXCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-15-4-5-16(2)12(10-15)7-13(18)6-11-8-14-17(3)9-11/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one?
1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 115414583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).