(1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate

C21H28N2O3 — CID 10736989

IUPAC(1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate
SMILESCCCCN1CCC(COC(=O)c2c3n(c4ccccc24)CCO3)CC1
InChIInChI=1S/C21H28N2O3/c1-2-3-10-22-11-8-16(9-12-22)15-26-21(24)19-17-6-4-5-7-18(17)23-13-14-25-20(19)23/h4-7,16H,2-3,8-15H2,1H3
InChIKeyPDKWAHWPUBNFCD-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.70
Rot. Bonds6

About (1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate

(1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate (PubChem CID 10736989) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate.

Molecular Properties

Compound Name(1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate
PubChem CID10736989
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate
SMILESCCCCN1CCC(COC(=O)c2c3n(c4ccccc24)CCO3)CC1
InChIInChI=1S/C21H28N2O3/c1-2-3-10-22-11-8-16(9-12-22)15-26-21(24)19-17-6-4-5-7-18(17)23-13-14-25-20(19)23/h4-7,16H,2-3,8-15H2,1H3
InChIKeyPDKWAHWPUBNFCD-UHFFFAOYSA-N
XLogP3.70
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate 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-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate?
The IUPAC name of (1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate (CID 10736989) is (1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate.
What is the SMILES notation for (1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate?
The canonical SMILES for (1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate is CCCCN1CCC(COC(=O)c2c3n(c4ccccc24)CCO3)CC1.
What is the InChIKey of (1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate?
The InChIKey is PDKWAHWPUBNFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-3-10-22-11-8-16(9-12-22)15-26-21(24)19-17-6-4-5-7-18(17)23-13-14-25-20(19)23/h4-7,16H,2-3,8-15H2,1H3.
What are the key properties of (1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate?
(1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylpiperidin-4-yl)methyl 1,2-dihydro-[1,3]oxazolo[3,2-a]indole-4-carboxylate is sourced from PubChem (CID 10736989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).