N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide

C20H25N3O2 — CID 99830523

IUPACN-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC([C@H]3CCCO3)CC2)c2ncccc2c1
InChIInChI=1S/C20H25N3O2/c1-14-12-16-4-2-8-21-19(16)17(13-14)22-20(24)23-9-6-15(7-10-23)18-5-3-11-25-18/h2,4,8,12-13,15,18H,3,5-7,9-11H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyYVKRZMBNUVNLQM-GOSISDBHSA-N
MW339.44 g/mol
LogP3.97
Rot. Bonds2

About N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide

N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide (PubChem CID 99830523) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
PubChem CID99830523
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC([C@H]3CCCO3)CC2)c2ncccc2c1
InChIInChI=1S/C20H25N3O2/c1-14-12-16-4-2-8-21-19(16)17(13-14)22-20(24)23-9-6-15(7-10-23)18-5-3-11-25-18/h2,4,8,12-13,15,18H,3,5-7,9-11H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyYVKRZMBNUVNLQM-GOSISDBHSA-N
XLogP3.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide (CID 99830523) is N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC([C@H]3CCCO3)CC2)c2ncccc2c1.
What is the InChIKey of N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The InChIKey is YVKRZMBNUVNLQM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-12-16-4-2-8-21-19(16)17(13-14)22-20(24)23-9-6-15(7-10-23)18-5-3-11-25-18/h2,4,8,12-13,15,18H,3,5-7,9-11H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 99830523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).