5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one

C10H15N3O2 — CID 112513810

IUPAC5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESCC1CCN(C(=O)c2cc(=O)[nH][nH]2)CC1
InChIInChI=1S/C10H15N3O2/c1-7-2-4-13(5-3-7)10(15)8-6-9(14)12-11-8/h6-7H,2-5H2,1H3,(H2,11,12,14)
InChIKeySXJBBNIUIVHMEZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.58
Rot. Bonds1

About 5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one

5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one (PubChem CID 112513810) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
PubChem CID112513810
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESCC1CCN(C(=O)c2cc(=O)[nH][nH]2)CC1
InChIInChI=1S/C10H15N3O2/c1-7-2-4-13(5-3-7)10(15)8-6-9(14)12-11-8/h6-7H,2-5H2,1H3,(H2,11,12,14)
InChIKeySXJBBNIUIVHMEZ-UHFFFAOYSA-N
XLogP0.58
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513808
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701
4-methyl-3-(4-methylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 110647524
4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332158
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one
CID 127895292
1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 89293635
5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 43414439
(7-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62058735
5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one
CID 95719495
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one (CID 112513810) is 5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one is CC1CCN(C(=O)c2cc(=O)[nH][nH]2)CC1.
What is the InChIKey of 5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The InChIKey is SXJBBNIUIVHMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-2-4-13(5-3-7)10(15)8-6-9(14)12-11-8/h6-7H,2-5H2,1H3,(H2,11,12,14).
What are the key properties of 5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one has a molecular weight of 209.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 112513810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).