N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide

C26H39N3O2 — CID 25263959

IUPACN-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide
SMILESCCCCc1cc(OC2CCN(CCCC(=O)NC(C)(C)C)CC2)c2ncccc2c1
InChIInChI=1S/C26H39N3O2/c1-5-6-9-20-18-21-10-7-14-27-25(21)23(19-20)31-22-12-16-29(17-13-22)15-8-11-24(30)28-26(2,3)4/h7,10,14,18-19,22H,5-6,8-9,11-13,15-17H2,1-4H3,(H,28,30)
InChIKeyBLTYHNPKGRKLGX-UHFFFAOYSA-N
MW425.62 g/mol
LogP5.12
Rot. Bonds9

About N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide

N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide (PubChem CID 25263959) has the molecular formula C26H39N3O2 and a molecular weight of 425.62 g/mol. Its IUPAC name is N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide.

Molecular Properties

Compound NameN-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide
PubChem CID25263959
Molecular FormulaC26H39N3O2
Molecular Weight425.62 g/mol
Exact Mass425.30
IUPAC NameN-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide
SMILESCCCCc1cc(OC2CCN(CCCC(=O)NC(C)(C)C)CC2)c2ncccc2c1
InChIInChI=1S/C26H39N3O2/c1-5-6-9-20-18-21-10-7-14-27-25(21)23(19-20)31-22-12-16-29(17-13-22)15-8-11-24(30)28-26(2,3)4/h7,10,14,18-19,22H,5-6,8-9,11-13,15-17H2,1-4H3,(H,28,30)
InChIKeyBLTYHNPKGRKLGX-UHFFFAOYSA-N
XLogP5.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide
CID 25265646
tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid
CID 66921929
N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide
CID 25265214
N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide
CID 25264924
1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 131739801
6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride
CID 131728650
N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide
CID 25265356
2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate
CID 68732155
(3R)-1-tert-butyl-3-(6-butylquinolin-8-yl)oxypyrrolidin-1-ium-1-carboxylic acid
CID 68729880
[cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate
CID 67068370
6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline
CID 68788537
6-butylquinolin-8-ol
CID 130033187

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide?
The IUPAC name of N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide (CID 25263959) is N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide.
What is the SMILES notation for N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide?
The canonical SMILES for N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide is CCCCc1cc(OC2CCN(CCCC(=O)NC(C)(C)C)CC2)c2ncccc2c1.
What is the InChIKey of N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide?
The InChIKey is BLTYHNPKGRKLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O2/c1-5-6-9-20-18-21-10-7-14-27-25(21)23(19-20)31-22-12-16-29(17-13-22)15-8-11-24(30)28-26(2,3)4/h7,10,14,18-19,22H,5-6,8-9,11-13,15-17H2,1-4H3,(H,28,30).
What are the key properties of N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide?
N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide has a molecular weight of 425.62 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide is sourced from PubChem (CID 25263959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).