3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one

C15H24N4O — CID 79238476

IUPAC3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one
SMILESCc1nn(C)c(C)c1CN1CCCC(NC2CC2)C1=O
InChIInChI=1S/C15H24N4O/c1-10-13(11(2)18(3)17-10)9-19-8-4-5-14(15(19)20)16-12-6-7-12/h12,14,16H,4-9H2,1-3H3
InChIKeyVCPUESKOWFLDBR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.28
Rot. Bonds4

About 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one

3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one (PubChem CID 79238476) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one
PubChem CID79238476
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one
SMILESCc1nn(C)c(C)c1CN1CCCC(NC2CC2)C1=O
InChIInChI=1S/C15H24N4O/c1-10-13(11(2)18(3)17-10)9-19-8-4-5-14(15(19)20)16-12-6-7-12/h12,14,16H,4-9H2,1-3H3
InChIKeyVCPUESKOWFLDBR-UHFFFAOYSA-N
XLogP1.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79238622
3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237666
N-cyclopropyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 79238625
3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 114185131
3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one
CID 114516757
3-(cyclopropylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-one
CID 106408298
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one
CID 82754849
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237900
N-cyclopropyl-3-[3-(cyclopropylamino)-2-oxopiperidin-1-yl]propanamide
CID 79400868
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
3-(cyclopropylamino)-1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidin-2-one
CID 106149590

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one (CID 79238476) is 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one is Cc1nn(C)c(C)c1CN1CCCC(NC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one?
The InChIKey is VCPUESKOWFLDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-13(11(2)18(3)17-10)9-19-8-4-5-14(15(19)20)16-12-6-7-12/h12,14,16H,4-9H2,1-3H3.
What are the key properties of 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one?
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one is sourced from PubChem (CID 79238476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).