2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone

C19H29N3O2 — CID 91905678

IUPAC2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCn1nc(C2CCN(C(=O)CC3CCCC3)CC2)c2c1CCOC2
InChIInChI=1S/C19H29N3O2/c1-21-17-8-11-24-13-16(17)19(20-21)15-6-9-22(10-7-15)18(23)12-14-4-2-3-5-14/h14-15H,2-13H2,1H3
InChIKeyIEUZARFNBVEWHZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.78
Rot. Bonds3

About 2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 91905678) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone
PubChem CID91905678
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCn1nc(C2CCN(C(=O)CC3CCCC3)CC2)c2c1CCOC2
InChIInChI=1S/C19H29N3O2/c1-21-17-8-11-24-13-16(17)19(20-21)15-6-9-22(10-7-15)18(23)12-14-4-2-3-5-14/h14-15H,2-13H2,1H3
InChIKeyIEUZARFNBVEWHZ-UHFFFAOYSA-N
XLogP2.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone (CID 91905678) is 2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone is Cn1nc(C2CCN(C(=O)CC3CCCC3)CC2)c2c1CCOC2.
What is the InChIKey of 2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is IEUZARFNBVEWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21-17-8-11-24-13-16(17)19(20-21)15-6-9-22(10-7-15)18(23)12-14-4-2-3-5-14/h14-15H,2-13H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91905678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).