N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide

C18H28N6O — CID 126425206

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
SMILESCCCN(Cc1nccn1C)C(=O)Cn1nccc1[C@@H]1CCCNC1
InChIInChI=1S/C18H28N6O/c1-3-10-23(13-17-20-9-11-22(17)2)18(25)14-24-16(6-8-21-24)15-5-4-7-19-12-15/h6,8-9,11,15,19H,3-5,7,10,12-14H2,1-2H3/t15-/m1/s1
InChIKeyOARDTUMLKBNEAV-OAHLLOKOSA-N
MW344.46 g/mol
LogP1.52
Rot. Bonds7

About N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide

N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide (PubChem CID 126425206) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
PubChem CID126425206
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
SMILESCCCN(Cc1nccn1C)C(=O)Cn1nccc1[C@@H]1CCCNC1
InChIInChI=1S/C18H28N6O/c1-3-10-23(13-17-20-9-11-22(17)2)18(25)14-24-16(6-8-21-24)15-5-4-7-19-12-15/h6,8-9,11,15,19H,3-5,7,10,12-14H2,1-2H3/t15-/m1/s1
InChIKeyOARDTUMLKBNEAV-OAHLLOKOSA-N
XLogP1.52
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide with MolForge

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Related Compounds

N-benzyl-N-ethyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069345
N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 154905007
N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119058801
1-(azepan-1-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126426759
N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 126440496
1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154903731
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126445012
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126445011
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452950
N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide;hydrochloride
CID 154903847
N-ethyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-propylacetamide
CID 119073593
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126443982

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide (CID 126425206) is N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide is CCCN(Cc1nccn1C)C(=O)Cn1nccc1[C@@H]1CCCNC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide?
The InChIKey is OARDTUMLKBNEAV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N6O/c1-3-10-23(13-17-20-9-11-22(17)2)18(25)14-24-16(6-8-21-24)15-5-4-7-19-12-15/h6,8-9,11,15,19H,3-5,7,10,12-14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide?
N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide has a molecular weight of 344.46 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 126425206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).