(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone

C11H18N4O — CID 119381090

IUPAC(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CCCC(N)C2)n[nH]1
InChIInChI=1S/C11H18N4O/c1-2-9-6-10(14-13-9)11(16)15-5-3-4-8(12)7-15/h6,8H,2-5,7,12H2,1H3,(H,13,14)
InChIKeyUFMZATOUYNXXIU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.54
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone

(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone (PubChem CID 119381090) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
PubChem CID119381090
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CCCC(N)C2)n[nH]1
InChIInChI=1S/C11H18N4O/c1-2-9-6-10(14-13-9)11(16)15-5-3-4-8(12)7-15/h6,8H,2-5,7,12H2,1H3,(H,13,14)
InChIKeyUFMZATOUYNXXIU-UHFFFAOYSA-N
XLogP0.54
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
(5-ethyl-1H-pyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492861
(5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 136579737
1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 78861980
[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 78873940
(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479436
(5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818111
[3-(hydroxymethyl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110900803
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 120805659
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
2-[4-(5-ethyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78870643

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone (CID 119381090) is (3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone is CCc1cc(C(=O)N2CCCC(N)C2)n[nH]1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone?
The InChIKey is UFMZATOUYNXXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-9-6-10(14-13-9)11(16)15-5-3-4-8(12)7-15/h6,8H,2-5,7,12H2,1H3,(H,13,14).
What are the key properties of (3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone?
(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 119381090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).