tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate

C22H32N2O3 — CID 62706513

IUPACtert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)CCC3=O)CC1
InChIInChI=1S/C22H32N2O3/c1-22(2,3)27-21(26)24-13-10-16(11-14-24)5-4-12-23-18-7-8-19-17(15-18)6-9-20(19)25/h7-8,15-16,23H,4-6,9-14H2,1-3H3
InChIKeyHDWCHQSQXHCARG-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.65
Rot. Bonds5

About tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate

tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate (PubChem CID 62706513) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate
PubChem CID62706513
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Nametert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)CCC3=O)CC1
InChIInChI=1S/C22H32N2O3/c1-22(2,3)27-21(26)24-13-10-16(11-14-24)5-4-12-23-18-7-8-19-17(15-18)6-9-20(19)25/h7-8,15-16,23H,4-6,9-14H2,1-3H3
InChIKeyHDWCHQSQXHCARG-UHFFFAOYSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate (CID 62706513) is tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)CCC3=O)CC1.
What is the InChIKey of tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate?
The InChIKey is HDWCHQSQXHCARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-22(2,3)27-21(26)24-13-10-16(11-14-24)5-4-12-23-18-7-8-19-17(15-18)6-9-20(19)25/h7-8,15-16,23H,4-6,9-14H2,1-3H3.
What are the key properties of tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate?
tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate has a molecular weight of 372.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 62706513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).