1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one

C20H23N3O2 — CID 3695255

IUPAC1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
SMILESO=C1OC2Cc3ccccc3C2N1C1CCN(Cc2ccc[nH]2)CC1
InChIInChI=1S/C20H23N3O2/c24-20-23(19-17-6-2-1-4-14(17)12-18(19)25-20)16-7-10-22(11-8-16)13-15-5-3-9-21-15/h1-6,9,16,18-19,21H,7-8,10-13H2
InChIKeyOKEBAGGSZDRMCV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.10
Rot. Bonds3

About 1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one

1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one (PubChem CID 3695255) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
PubChem CID3695255
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
SMILESO=C1OC2Cc3ccccc3C2N1C1CCN(Cc2ccc[nH]2)CC1
InChIInChI=1S/C20H23N3O2/c24-20-23(19-17-6-2-1-4-14(17)12-18(19)25-20)16-7-10-22(11-8-16)13-15-5-3-9-21-15/h1-6,9,16,18-19,21H,7-8,10-13H2
InChIKeyOKEBAGGSZDRMCV-UHFFFAOYSA-N
XLogP3.10
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
The IUPAC name of 1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one (CID 3695255) is 1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one.
What is the SMILES notation for 1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
The canonical SMILES for 1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one is O=C1OC2Cc3ccccc3C2N1C1CCN(Cc2ccc[nH]2)CC1.
What is the InChIKey of 1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
The InChIKey is OKEBAGGSZDRMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20-23(19-17-6-2-1-4-14(17)12-18(19)25-20)16-7-10-22(11-8-16)13-15-5-3-9-21-15/h1-6,9,16,18-19,21H,7-8,10-13H2.
What are the key properties of 1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one is sourced from PubChem (CID 3695255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).