2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one

C19H29N3O — CID 126854434

IUPAC2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C19H29N3O/c23-19-8-7-18(17-5-6-17)20-22(19)14-16-9-11-21(12-10-16)13-15-3-1-2-4-15/h7-8,15-17H,1-6,9-14H2
InChIKeyXDHVMXCKSJOUOE-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.02
Rot. Bonds5

About 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one

2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one (PubChem CID 126854434) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
PubChem CID126854434
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C19H29N3O/c23-19-8-7-18(17-5-6-17)20-22(19)14-16-9-11-21(12-10-16)13-15-3-1-2-4-15/h7-8,15-17H,1-6,9-14H2
InChIKeyXDHVMXCKSJOUOE-UHFFFAOYSA-N
XLogP3.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one?
The IUPAC name of 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one (CID 126854434) is 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCN(CC2CCCC2)CC1.
What is the InChIKey of 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one?
The InChIKey is XDHVMXCKSJOUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19-8-7-18(17-5-6-17)20-22(19)14-16-9-11-21(12-10-16)13-15-3-1-2-4-15/h7-8,15-17H,1-6,9-14H2.
What are the key properties of 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one?
2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one has a molecular weight of 315.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one is sourced from PubChem (CID 126854434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).