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

C20H31N3O2 — CID 91915302

IUPAC3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCn1nc(C2CCN(C(=O)CCC3CCCC3)CC2)c2c1CCOC2
InChIInChI=1S/C20H31N3O2/c1-22-18-10-13-25-14-17(18)20(21-22)16-8-11-23(12-9-16)19(24)7-6-15-4-2-3-5-15/h15-16H,2-14H2,1H3
InChIKeyMOFDKKRQSPIXNK-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.17
Rot. Bonds4

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

3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 91915302) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID91915302
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCn1nc(C2CCN(C(=O)CCC3CCCC3)CC2)c2c1CCOC2
InChIInChI=1S/C20H31N3O2/c1-22-18-10-13-25-14-17(18)20(21-22)16-8-11-23(12-9-16)19(24)7-6-15-4-2-3-5-15/h15-16H,2-14H2,1H3
InChIKeyMOFDKKRQSPIXNK-UHFFFAOYSA-N
XLogP3.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one (CID 91915302) is 3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one is Cn1nc(C2CCN(C(=O)CCC3CCCC3)CC2)c2c1CCOC2.
What is the InChIKey of 3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is MOFDKKRQSPIXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-22-18-10-13-25-14-17(18)20(21-22)16-8-11-23(12-9-16)19(24)7-6-15-4-2-3-5-15/h15-16H,2-14H2,1H3.
What are the key properties of 3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 345.49 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 91915302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).