[4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C12H20N4O2 — CID 82692044

IUPAC[4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C12H20N4O2/c1-15-11(2-6-14-15)12(17)16-7-3-10(4-8-16)18-9-5-13/h2,6,10H,3-5,7-9,13H2,1H3
InChIKeyQQZUGVHHZVOZAC-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.00
Rot. Bonds4

About [4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 82692044) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is [4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID82692044
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name[4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C12H20N4O2/c1-15-11(2-6-14-15)12(17)16-7-3-10(4-8-16)18-9-5-13/h2,6,10H,3-5,7-9,13H2,1H3
InChIKeyQQZUGVHHZVOZAC-UHFFFAOYSA-N
XLogP-0.00
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91918286
[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 79731777
[4-(2-aminoethoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 82700954
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
[4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 82701353
[4-(1-bromoethyl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 106839312
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
[4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 115824313
1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
(4-bromo-3-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 114683538
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 63341292

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 82692044) is [4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC(OCCN)CC1.
What is the InChIKey of [4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is QQZUGVHHZVOZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15-11(2-6-14-15)12(17)16-7-3-10(4-8-16)18-9-5-13/h2,6,10H,3-5,7-9,13H2,1H3.
What are the key properties of [4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 252.32 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 82692044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).