N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide

C16H22N6O — CID 122318604

IUPACN-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCc1nccc(N2CCCCC2)n1)n1cccn1
InChIInChI=1S/C16H22N6O/c1-13(22-11-5-7-19-22)16(23)18-12-14-17-8-6-15(20-14)21-9-3-2-4-10-21/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,18,23)
InChIKeySITLUYHJLWCYNJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.54
Rot. Bonds5

About N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide

N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 122318604) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide
PubChem CID122318604
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCc1nccc(N2CCCCC2)n1)n1cccn1
InChIInChI=1S/C16H22N6O/c1-13(22-11-5-7-19-22)16(23)18-12-14-17-8-6-15(20-14)21-9-3-2-4-10-21/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,18,23)
InChIKeySITLUYHJLWCYNJ-UHFFFAOYSA-N
XLogP1.54
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diphenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 91966645
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
2,2-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 72717995
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997
1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide
CID 122318478
2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318482
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966673
1-(3-methylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966659
3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 91966623

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide (CID 122318604) is N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)NCc1nccc(N2CCCCC2)n1)n1cccn1.
What is the InChIKey of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is SITLUYHJLWCYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-13(22-11-5-7-19-22)16(23)18-12-14-17-8-6-15(20-14)21-9-3-2-4-10-21/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,18,23).
What are the key properties of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide?
N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 122318604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).