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

C14H24N4O — CID 124573456

IUPAC[(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC[C@H]2CN)nn1C
InChIInChI=1S/C14H24N4O/c1-10(2)13-8-12(16-17(13)3)14(19)18-7-5-4-6-11(18)9-15/h8,10-11H,4-7,9,15H2,1-3H3/t11-/m0/s1
InChIKeyYDRJEWWOYKQFLL-NSHDSACASA-N
MW264.37 g/mol
LogP1.50
Rot. Bonds3

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

[(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 124573456) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
PubChem CID124573456
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC[C@H]2CN)nn1C
InChIInChI=1S/C14H24N4O/c1-10(2)13-8-12(16-17(13)3)14(19)18-7-5-4-6-11(18)9-15/h8,10-11H,4-7,9,15H2,1-3H3/t11-/m0/s1
InChIKeyYDRJEWWOYKQFLL-NSHDSACASA-N
XLogP1.50
TPSA64.15 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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124687127
2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393461
[2-(aminomethyl)azepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 116639984
(1-methyl-5-propan-2-ylpyrazol-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 128969748
N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 119480432
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124592102
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 119633410
[3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 119489882
(1,5-dimethylpyrazol-3-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472339
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
[2-(aminomethyl)piperidin-1-yl]-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119468564

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone (CID 124573456) is [(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCCC[C@H]2CN)nn1C.
What is the InChIKey of [(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is YDRJEWWOYKQFLL-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)13-8-12(16-17(13)3)14(19)18-7-5-4-6-11(18)9-15/h8,10-11H,4-7,9,15H2,1-3H3/t11-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
[(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 124573456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).