2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

C14H24N4O2 — CID 70753990

IUPAC2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCCC1(CO)CCCN(CC(=O)Nc2ccn(C)n2)C1
InChIInChI=1S/C14H24N4O2/c1-3-14(11-19)6-4-7-18(10-14)9-13(20)15-12-5-8-17(2)16-12/h5,8,19H,3-4,6-7,9-11H2,1-2H3,(H,15,16,20)
InChIKeyYHQLWOYINDXUDK-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.84
Rot. Bonds5

About 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 70753990) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID70753990
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCCC1(CO)CCCN(CC(=O)Nc2ccn(C)n2)C1
InChIInChI=1S/C14H24N4O2/c1-3-14(11-19)6-4-7-18(10-14)9-13(20)15-12-5-8-17(2)16-12/h5,8,19H,3-4,6-7,9-11H2,1-2H3,(H,15,16,20)
InChIKeyYHQLWOYINDXUDK-UHFFFAOYSA-N
XLogP0.84
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 79327473
2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124756401
4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide
CID 97131483
1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
CID 111926215
2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91836314
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485630
N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide
CID 91833419
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91830392
2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 163312846
N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124752097
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 135119537

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 70753990) is 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is CCC1(CO)CCCN(CC(=O)Nc2ccn(C)n2)C1.
What is the InChIKey of 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is YHQLWOYINDXUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-14(11-19)6-4-7-18(10-14)9-13(20)15-12-5-8-17(2)16-12/h5,8,19H,3-4,6-7,9-11H2,1-2H3,(H,15,16,20).
What are the key properties of 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 70753990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).