(3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone

C11H18N4O — CID 79993620

IUPAC(3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCC1CC(N)CN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C11H18N4O/c1-8-5-9(12)7-15(6-8)11(16)10-3-4-13-14(10)2/h3-4,8-9H,5-7,12H2,1-2H3
InChIKeyNTXBEEGTDUEDDR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.23
Rot. Bonds1

About (3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone

(3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 79993620) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
PubChem CID79993620
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCC1CC(N)CN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C11H18N4O/c1-8-5-9(12)7-15(6-8)11(16)10-3-4-13-14(10)2/h3-4,8-9H,5-7,12H2,1-2H3
InChIKeyNTXBEEGTDUEDDR-UHFFFAOYSA-N
XLogP0.23
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119379296
(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 79994014
(4-bromo-3-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 114683538
1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 81428793
N'-hydroxy-4-(2-methylpyrazole-3-carbonyl)morpholine-2-carboximidamide
CID 79680892
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 39855081
3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one
CID 114499805
(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 79994432
(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107690384

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone (CID 79993620) is (3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone is CC1CC(N)CN(C(=O)c2ccnn2C)C1.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is NTXBEEGTDUEDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-5-9(12)7-15(6-8)11(16)10-3-4-13-14(10)2/h3-4,8-9H,5-7,12H2,1-2H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone?
(3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 79993620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).