2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one

C12H20N4O — CID 79769934

IUPAC2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1cnn(C)c1)C(=O)N1CCCCC1
InChIInChI=1S/C12H20N4O/c1-10(14-11-8-13-15(2)9-11)12(17)16-6-4-3-5-7-16/h8-10,14H,3-7H2,1-2H3
InChIKeyMAMVLWCDEUNESV-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.23
Rot. Bonds3

About 2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one

2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 79769934) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID79769934
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1cnn(C)c1)C(=O)N1CCCCC1
InChIInChI=1S/C12H20N4O/c1-10(14-11-8-13-15(2)9-11)12(17)16-6-4-3-5-7-16/h8-10,14H,3-7H2,1-2H3
InChIKeyMAMVLWCDEUNESV-UHFFFAOYSA-N
XLogP1.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one
CID 75497371
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
CID 115571713
N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79778444
1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
CID 155858284
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353
2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112696405
2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one
CID 43088919
2-chloro-2-(1-methylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 62224276
methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate
CID 79778645
2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43123154

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 79769934) is 2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one is CC(Nc1cnn(C)c1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is MAMVLWCDEUNESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(14-11-8-13-15(2)9-11)12(17)16-6-4-3-5-7-16/h8-10,14H,3-7H2,1-2H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 236.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 79769934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).