N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide

C27H39N3O2 — CID 25265356

IUPACN-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide
SMILESCCCCc1cc(OC2CCN(CCNC(=O)C3CCCCC3)CC2)c2ncccc2c1
InChIInChI=1S/C27H39N3O2/c1-2-3-8-21-19-23-11-7-14-28-26(23)25(20-21)32-24-12-16-30(17-13-24)18-15-29-27(31)22-9-5-4-6-10-22/h7,11,14,19-20,22,24H,2-6,8-10,12-13,15-18H2,1H3,(H,29,31)
InChIKeyWXJBCINFWRBSRT-UHFFFAOYSA-N
MW437.63 g/mol
LogP5.12
Rot. Bonds9

About N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide

N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide (PubChem CID 25265356) has the molecular formula C27H39N3O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide
PubChem CID25265356
Molecular FormulaC27H39N3O2
Molecular Weight437.63 g/mol
Exact Mass437.30
IUPAC NameN-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide
SMILESCCCCc1cc(OC2CCN(CCNC(=O)C3CCCCC3)CC2)c2ncccc2c1
InChIInChI=1S/C27H39N3O2/c1-2-3-8-21-19-23-11-7-14-28-26(23)25(20-21)32-24-12-16-30(17-13-24)18-15-29-27(31)22-9-5-4-6-10-22/h7,11,14,19-20,22,24H,2-6,8-10,12-13,15-18H2,1H3,(H,29,31)
InChIKeyWXJBCINFWRBSRT-UHFFFAOYSA-N
XLogP5.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide (CID 25265356) is N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide is CCCCc1cc(OC2CCN(CCNC(=O)C3CCCCC3)CC2)c2ncccc2c1.
What is the InChIKey of N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is WXJBCINFWRBSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2/c1-2-3-8-21-19-23-11-7-14-28-26(23)25(20-21)32-24-12-16-30(17-13-24)18-15-29-27(31)22-9-5-4-6-10-22/h7,11,14,19-20,22,24H,2-6,8-10,12-13,15-18H2,1H3,(H,29,31).
What are the key properties of N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide?
N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 437.63 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-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 25265356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).