N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide

C13H22N4O — CID 103006585

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide
SMILESCn1nccc1CCNC(=O)CC1CCNCC1
InChIInChI=1S/C13H22N4O/c1-17-12(5-9-16-17)4-8-15-13(18)10-11-2-6-14-7-3-11/h5,9,11,14H,2-4,6-8,10H2,1H3,(H,15,18)
InChIKeyNEYRJAPVLZXEPA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.47
Rot. Bonds5

About N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide

N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide (PubChem CID 103006585) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide
PubChem CID103006585
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide
SMILESCn1nccc1CCNC(=O)CC1CCNCC1
InChIInChI=1S/C13H22N4O/c1-17-12(5-9-16-17)4-8-15-13(18)10-11-2-6-14-7-3-11/h5,9,11,14H,2-4,6-8,10H2,1H3,(H,15,18)
InChIKeyNEYRJAPVLZXEPA-UHFFFAOYSA-N
XLogP0.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 103006800
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
CID 103008088
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 64610210
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707316
4-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxamide
CID 103006575
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119673168
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
2-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63240285
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 103004667
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide (CID 103006585) is N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide is Cn1nccc1CCNC(=O)CC1CCNCC1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide?
The InChIKey is NEYRJAPVLZXEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-12(5-9-16-17)4-8-15-13(18)10-11-2-6-14-7-3-11/h5,9,11,14H,2-4,6-8,10H2,1H3,(H,15,18).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide?
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide has a molecular weight of 250.35 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 103006585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).