cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone

C17H25N3O2 — CID 91915290

IUPACcyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nc(C2CCN(C(=O)C3CCC3)CC2)c2c1CCOC2
InChIInChI=1S/C17H25N3O2/c1-19-15-7-10-22-11-14(15)16(18-19)12-5-8-20(9-6-12)17(21)13-3-2-4-13/h12-13H,2-11H2,1H3
InChIKeyYULJAXYNMWQDTM-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.00
Rot. Bonds2

About cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone

cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 91915290) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID91915290
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Namecyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nc(C2CCN(C(=O)C3CCC3)CC2)c2c1CCOC2
InChIInChI=1S/C17H25N3O2/c1-19-15-7-10-22-11-14(15)16(18-19)12-5-8-20(9-6-12)17(21)13-3-2-4-13/h12-13H,2-11H2,1H3
InChIKeyYULJAXYNMWQDTM-UHFFFAOYSA-N
XLogP2.00
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)cyclobutanecarboxamide
CID 72718813
1-(4-{1-Methyl-1H,4H,6H,7H-pyrano[4,3-C]pyrazol-3-YL}piperidin-1-YL)-4-phenylbutan-1-one
CID 91915296
[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 91915305
1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-methyl-1-propanone
CID 71819780
cyclopentyl[1-(cyclopropylmethyl)-3-(methoxymethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 71837248
2-Cyclopentyl-1-(4-{1-methyl-1H,4H,6H,7H-pyrano[4,3-C]pyrazol-3-YL}piperidin-1-YL)ethan-1-one
CID 91905678
3-Cyclopentyl-1-[4-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidino]-1-propanone
CID 91915302
1-Methyl-3-[1-(phenylacetyl)piperidin-4-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 91915309
N~1~-(Sec-butyl)-4-{1-[2-(methylamino)-2-oxoethyl]-1,4,6,7-tetrahydropyrano[4,3-C]pyrazol-3-YL}tetrahydro-1(2H)-pyridinecarboxamide
CID 91915327
2-methyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one
CID 110875795
tert-butyl 4-(1-pent-4-ynyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate
CID 132315803
tert-butyl 4-(1-butyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate
CID 132315804

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone (CID 91915290) is cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone is Cn1nc(C2CCN(C(=O)C3CCC3)CC2)c2c1CCOC2.
What is the InChIKey of cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is YULJAXYNMWQDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-15-7-10-22-11-14(15)16(18-19)12-5-8-20(9-6-12)17(21)13-3-2-4-13/h12-13H,2-11H2,1H3.
What are the key properties of cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone?
cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 303.41 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91915290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).