7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one

C15H27N5O — CID 119887294

IUPAC7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one
SMILESCn1cc(N2CCN(C(=O)CCCCCCN)CC2)cn1
InChIInChI=1S/C15H27N5O/c1-18-13-14(12-17-18)19-8-10-20(11-9-19)15(21)6-4-2-3-5-7-16/h12-13H,2-11,16H2,1H3
InChIKeyXUMHSRNEXBVDFE-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.98
Rot. Bonds7

About 7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one

7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one (PubChem CID 119887294) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one.

Molecular Properties

Compound Name7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one
PubChem CID119887294
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one
SMILESCn1cc(N2CCN(C(=O)CCCCCCN)CC2)cn1
InChIInChI=1S/C15H27N5O/c1-18-13-14(12-17-18)19-8-10-20(11-9-19)15(21)6-4-2-3-5-7-16/h12-13H,2-11,16H2,1H3
InChIKeyXUMHSRNEXBVDFE-UHFFFAOYSA-N
XLogP0.98
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823
3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982806
7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one
CID 119851657
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 119887348
8-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103023487
7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride
CID 119750177
7-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]heptan-1-one
CID 119829060
7-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]heptan-1-one;dihydrochloride
CID 119858319
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one?
The IUPAC name of 7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one (CID 119887294) is 7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one.
What is the SMILES notation for 7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one?
The canonical SMILES for 7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one is Cn1cc(N2CCN(C(=O)CCCCCCN)CC2)cn1.
What is the InChIKey of 7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one?
The InChIKey is XUMHSRNEXBVDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-18-13-14(12-17-18)19-8-10-20(11-9-19)15(21)6-4-2-3-5-7-16/h12-13H,2-11,16H2,1H3.
What are the key properties of 7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one?
7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one has a molecular weight of 293.41 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one is sourced from PubChem (CID 119887294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).