tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid

C28H43N3O3 — CID 66921929

IUPACtert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid
SMILESCCCCc1cc(OC2CCN(CCCCCN(C(=O)O)C(C)(C)C)CC2)c2ncccc2c1
InChIInChI=1S/C28H43N3O3/c1-5-6-11-22-20-23-12-10-15-29-26(23)25(21-22)34-24-13-18-30(19-14-24)16-8-7-9-17-31(27(32)33)28(2,3)4/h10,12,15,20-21,24H,5-9,11,13-14,16-19H2,1-4H3,(H,32,33)
InChIKeyDYUCYVVXNRGHFJ-UHFFFAOYSA-N
MW469.67 g/mol
LogP6.37
Rot. Bonds11

About tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid

tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid (PubChem CID 66921929) has the molecular formula C28H43N3O3 and a molecular weight of 469.67 g/mol. Its IUPAC name is tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid
PubChem CID66921929
Molecular FormulaC28H43N3O3
Molecular Weight469.67 g/mol
Exact Mass469.33
IUPAC Nametert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid
SMILESCCCCc1cc(OC2CCN(CCCCCN(C(=O)O)C(C)(C)C)CC2)c2ncccc2c1
InChIInChI=1S/C28H43N3O3/c1-5-6-11-22-20-23-12-10-15-29-26(23)25(21-22)34-24-13-18-30(19-14-24)16-8-7-9-17-31(27(32)33)28(2,3)4/h10,12,15,20-21,24H,5-9,11,13-14,16-19H2,1-4H3,(H,32,33)
InChIKeyDYUCYVVXNRGHFJ-UHFFFAOYSA-N
XLogP6.37
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid 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 tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid?
The IUPAC name of tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid (CID 66921929) is tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid.
What is the SMILES notation for tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid?
The canonical SMILES for tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid is CCCCc1cc(OC2CCN(CCCCCN(C(=O)O)C(C)(C)C)CC2)c2ncccc2c1.
What is the InChIKey of tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid?
The InChIKey is DYUCYVVXNRGHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O3/c1-5-6-11-22-20-23-12-10-15-29-26(23)25(21-22)34-24-13-18-30(19-14-24)16-8-7-9-17-31(27(32)33)28(2,3)4/h10,12,15,20-21,24H,5-9,11,13-14,16-19H2,1-4H3,(H,32,33).
What are the key properties of tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid?
tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid has a molecular weight of 469.67 g/mol, XLogP of 6.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid is sourced from PubChem (CID 66921929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).