N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide

C16H28N4O — CID 72875294

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(CC(=O)NCc2cc(C)nn2C)CC1
InChIInChI=1S/C16H28N4O/c1-4-7-20-8-5-14(6-9-20)11-16(21)17-12-15-10-13(2)18-19(15)3/h10,14H,4-9,11-12H2,1-3H3,(H,17,21)
InChIKeyRMBMCZXAXPQOTC-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.86
Rot. Bonds6

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide (PubChem CID 72875294) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide
PubChem CID72875294
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(CC(=O)NCc2cc(C)nn2C)CC1
InChIInChI=1S/C16H28N4O/c1-4-7-20-8-5-14(6-9-20)11-16(21)17-12-15-10-13(2)18-19(15)3/h10,14H,4-9,11-12H2,1-3H3,(H,17,21)
InChIKeyRMBMCZXAXPQOTC-UHFFFAOYSA-N
XLogP1.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinecarbothioamide
CID 58078897
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]acetamide
CID 16191009
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-ethyl-3-methylpiperidine-3-carboxamide
CID 49795728
1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 53501404
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]acetamide
CID 16192290
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24817602
4-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 25854652
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide
CID 35290161
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
CID 46963969
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 49786572

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide (CID 72875294) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(CC(=O)NCc2cc(C)nn2C)CC1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is RMBMCZXAXPQOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-7-20-8-5-14(6-9-20)11-16(21)17-12-15-10-13(2)18-19(15)3/h10,14H,4-9,11-12H2,1-3H3,(H,17,21).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 292.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72875294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).