3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

C16H27N5O — CID 120982600

IUPAC3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCn1nccc1C1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C16H27N5O/c1-19-15(2-6-18-19)14-3-9-20(10-4-14)11-5-16(22)21-12-7-17-8-13-21/h2,6,14,17H,3-5,7-13H2,1H3
InChIKeyDJQMEBTZOABZRS-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.42
Rot. Bonds4

About 3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982600) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120982600
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCn1nccc1C1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C16H27N5O/c1-19-15(2-6-18-19)14-3-9-20(10-4-14)11-5-16(22)21-12-7-17-8-13-21/h2,6,14,17H,3-5,7-13H2,1H3
InChIKeyDJQMEBTZOABZRS-UHFFFAOYSA-N
XLogP0.42
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride
CID 119873963
3-(2-aminophenyl)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120612910
(3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 128544432
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124696076
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119873977
3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981397
methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate
CID 110913158
3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982806
2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
CID 136527045
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
CID 104710214
3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981575
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120982600) is 3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is Cn1nccc1C1CCN(CCC(=O)N2CCNCC2)CC1.
What is the InChIKey of 3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is DJQMEBTZOABZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-19-15(2-6-18-19)14-3-9-20(10-4-14)11-5-16(22)21-12-7-17-8-13-21/h2,6,14,17H,3-5,7-13H2,1H3.
What are the key properties of 3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 305.43 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).