[3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone

C14H24N4O — CID 119489882

IUPAC[3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
SMILESCNC1CCCN(C(=O)c2cc(C(C)C)n(C)n2)C1
InChIInChI=1S/C14H24N4O/c1-10(2)13-8-12(16-17(13)4)14(19)18-7-5-6-11(9-18)15-3/h8,10-11,15H,5-7,9H2,1-4H3
InChIKeyJNCGSHPYTUQNCG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.37
Rot. Bonds3

About [3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone

[3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 119489882) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
PubChem CID119489882
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
SMILESCNC1CCCN(C(=O)c2cc(C(C)C)n(C)n2)C1
InChIInChI=1S/C14H24N4O/c1-10(2)13-8-12(16-17(13)4)14(19)18-7-5-6-11(9-18)15-3/h8,10-11,15H,5-7,9H2,1-4H3
InChIKeyJNCGSHPYTUQNCG-UHFFFAOYSA-N
XLogP1.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124592102
N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 119480432
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone;hydrochloride
CID 119636614
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 119623043
[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124687127
[1-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]pyrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29097980
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119489255
1-[3-(methylamino)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 119488745
(5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490634
[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 119488384

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone (CID 119489882) is [3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone is CNC1CCCN(C(=O)c2cc(C(C)C)n(C)n2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is JNCGSHPYTUQNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)13-8-12(16-17(13)4)14(19)18-7-5-6-11(9-18)15-3/h8,10-11,15H,5-7,9H2,1-4H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
[3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 119489882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).