N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide

C30H45N3O2 — CID 25264924

IUPACN-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide
SMILESCCCCc1cc(OC2CCN(CC3CCC(C(=O)NC(C)(C)C)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C30H45N3O2/c1-5-6-8-23-19-25-9-7-16-31-28(25)27(20-23)35-26-14-17-33(18-15-26)21-22-10-12-24(13-11-22)29(34)32-30(2,3)4/h7,9,16,19-20,22,24,26H,5-6,8,10-15,17-18,21H2,1-4H3,(H,32,34)
InChIKeyNTNKAACVSBJDPF-UHFFFAOYSA-N
MW479.71 g/mol
LogP6.14
Rot. Bonds8

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

N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 25264924) has the molecular formula C30H45N3O2 and a molecular weight of 479.71 g/mol. Its IUPAC name is N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide
PubChem CID25264924
Molecular FormulaC30H45N3O2
Molecular Weight479.71 g/mol
Exact Mass479.35
IUPAC NameN-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide
SMILESCCCCc1cc(OC2CCN(CC3CCC(C(=O)NC(C)(C)C)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C30H45N3O2/c1-5-6-8-23-19-25-9-7-16-31-28(25)27(20-23)35-26-14-17-33(18-15-26)21-22-10-12-24(13-11-22)29(34)32-30(2,3)4/h7,9,16,19-20,22,24,26H,5-6,8,10-15,17-18,21H2,1-4H3,(H,32,34)
InChIKeyNTNKAACVSBJDPF-UHFFFAOYSA-N
XLogP6.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.71
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide
CID 25263959
N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide
CID 25265356
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
1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 131739801
N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide
CID 25265214
6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride
CID 131728650
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
4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 20895152
6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline
CID 68788537

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide (CID 25264924) is N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide is CCCCc1cc(OC2CCN(CC3CCC(C(=O)NC(C)(C)C)CC3)CC2)c2ncccc2c1.
What is the InChIKey of N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is NTNKAACVSBJDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O2/c1-5-6-8-23-19-25-9-7-16-31-28(25)27(20-23)35-26-14-17-33(18-15-26)21-22-10-12-24(13-11-22)29(34)32-30(2,3)4/h7,9,16,19-20,22,24,26H,5-6,8,10-15,17-18,21H2,1-4H3,(H,32,34).
What are the key properties of N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide?
N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 479.71 g/mol, XLogP of 6.14, 8 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]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 25264924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).