2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C18H24N4O — CID 56744023

IUPAC2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)(N)C(=O)N1CCCC(c2[nH]ncc2-c2ccccc2)C1
InChIInChI=1S/C18H24N4O/c1-18(2,19)17(23)22-10-6-9-14(12-22)16-15(11-20-21-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,6,9-10,12,19H2,1-2H3,(H,20,21)
InChIKeyMMYXUEDQFSJYOH-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.52
Rot. Bonds3

About 2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 56744023) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID56744023
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)(N)C(=O)N1CCCC(c2[nH]ncc2-c2ccccc2)C1
InChIInChI=1S/C18H24N4O/c1-18(2,19)17(23)22-10-6-9-14(12-22)16-15(11-20-21-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,6,9-10,12,19H2,1-2H3,(H,20,21)
InChIKeyMMYXUEDQFSJYOH-UHFFFAOYSA-N
XLogP2.52
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 95196951
2-amino-1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 56740582
2-hydroxy-2-methyl-1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 56746262
3-hydroxy-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56747337
(3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 42164664
(2-methoxypyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95226344
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95207303
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56738871
2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136693380
[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 95223362
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752938
6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
CID 95217243

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 56744023) is 2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is CC(C)(N)C(=O)N1CCCC(c2[nH]ncc2-c2ccccc2)C1.
What is the InChIKey of 2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is MMYXUEDQFSJYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(2,19)17(23)22-10-6-9-14(12-22)16-15(11-20-21-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,6,9-10,12,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 312.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56744023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).