N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide

C13H22N4O2 — CID 80682195

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide
SMILESCn1cc(CCNC(=O)COC2CCNCC2)cn1
InChIInChI=1S/C13H22N4O2/c1-17-9-11(8-16-17)2-7-15-13(18)10-19-12-3-5-14-6-4-12/h8-9,12,14H,2-7,10H2,1H3,(H,15,18)
InChIKeyXOZLLVMBSKJHSW-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.15
Rot. Bonds6

About N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide (PubChem CID 80682195) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide
PubChem CID80682195
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide
SMILESCn1cc(CCNC(=O)COC2CCNCC2)cn1
InChIInChI=1S/C13H22N4O2/c1-17-9-11(8-16-17)2-7-15-13(18)10-19-12-3-5-14-6-4-12/h8-9,12,14H,2-7,10H2,1H3,(H,15,18)
InChIKeyXOZLLVMBSKJHSW-UHFFFAOYSA-N
XLogP-0.15
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 96531899
1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571131
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539
N-(2-phenylethyl)-2-piperidin-4-yloxyacetamide
CID 63877044
2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 80682467
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770919
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 47045575
N-(2-aminoethyl)-2-piperidin-4-yloxyacetamide
CID 63876226
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide (CID 80682195) is N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide is Cn1cc(CCNC(=O)COC2CCNCC2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide?
The InChIKey is XOZLLVMBSKJHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-17-9-11(8-16-17)2-7-15-13(18)10-19-12-3-5-14-6-4-12/h8-9,12,14H,2-7,10H2,1H3,(H,15,18).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide has a molecular weight of 266.34 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 80682195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).