1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

C16H28N4O2 — CID 51104978

IUPAC1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1c(CNC2CCN(C(=O)C(C)C)CC2)c(C)nn1C
InChIInChI=1S/C16H28N4O2/c1-11(2)15(21)20-8-6-13(7-9-20)17-10-14-12(3)18-19(4)16(14)22-5/h11,13,17H,6-10H2,1-5H3
InChIKeyYSYAPBGPXOMTTI-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.47
Rot. Bonds5

About 1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 51104978) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID51104978
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1c(CNC2CCN(C(=O)C(C)C)CC2)c(C)nn1C
InChIInChI=1S/C16H28N4O2/c1-11(2)15(21)20-8-6-13(7-9-20)17-10-14-12(3)18-19(4)16(14)22-5/h11,13,17H,6-10H2,1-5H3
InChIKeyYSYAPBGPXOMTTI-UHFFFAOYSA-N
XLogP1.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

Cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone
CID 51104967
1-[4-[(5-Methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 51104979
N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51105187
N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 53539237
N-cyclopentyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide
CID 53542105
N-cyclopentyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 53547191
N-cyclopropyl-2-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide
CID 53553031
1-tert-butyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 53557758
2-[(5-Methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 53572947
2-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 53583614
N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 51104735
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbutanamide
CID 51105361

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (CID 51104978) is 1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is COc1c(CNC2CCN(C(=O)C(C)C)CC2)c(C)nn1C.
What is the InChIKey of 1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is YSYAPBGPXOMTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11(2)15(21)20-8-6-13(7-9-20)17-10-14-12(3)18-19(4)16(14)22-5/h11,13,17H,6-10H2,1-5H3.
What are the key properties of 1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 308.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 51104978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).