1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one

C17H30N4O2 — CID 92624521

IUPAC1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC(c2cc(CN(C)C)n(C)n2)CC1
InChIInChI=1S/C17H30N4O2/c1-17(2,23-6)16(22)21-9-7-13(8-10-21)15-11-14(12-19(3)4)20(5)18-15/h11,13H,7-10,12H2,1-6H3
InChIKeyKOYFKYWZPWVVFV-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.61
Rot. Bonds5

About 1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one

1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one (PubChem CID 92624521) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
PubChem CID92624521
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC(c2cc(CN(C)C)n(C)n2)CC1
InChIInChI=1S/C17H30N4O2/c1-17(2,23-6)16(22)21-9-7-13(8-10-21)15-11-14(12-19(3)4)20(5)18-15/h11,13H,7-10,12H2,1-6H3
InChIKeyKOYFKYWZPWVVFV-UHFFFAOYSA-N
XLogP1.61
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one with MolForge

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Related Compounds

N-[(1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 71808666
N-[[(2R,4S,5R)-5-(3-cyclohexyl-1-methylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-2-methoxyacetamide
CID 25388966
N-({(3S,4R)-3-(dimethylamino)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]hexahydro-4-pyridinyl}methyl)-2-methoxyacetamide
CID 91921000
1-{4-[3,5-Bis(propan-2-YL)-1H-pyrazol-1-YL]piperidin-1-YL}-1-oxopropan-2-YL acetate
CID 83279404
1-[4-[5-[(Dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one;hydrochloride
CID 118741629
3,3,3-trifluoro-1-[4-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyrazol-3-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 130387979
2,2,2-Trifluoroethyl 2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetate
CID 169114254
2,2,2-trifluoroethyl 2-[(2R,5S)-2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetate
CID 169750597
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 19540119
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 35293974
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 35293982
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 35293993

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one (CID 92624521) is 1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CCC(c2cc(CN(C)C)n(C)n2)CC1.
What is the InChIKey of 1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The InChIKey is KOYFKYWZPWVVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-17(2,23-6)16(22)21-9-7-13(8-10-21)15-11-14(12-19(3)4)20(5)18-15/h11,13H,7-10,12H2,1-6H3.
What are the key properties of 1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one has a molecular weight of 322.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 92624521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).