N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide

C21H29N3O — CID 60574501

IUPACN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CN2CC(C)CC(C)C2)c2ccccc2n1
InChIInChI=1S/C21H29N3O/c1-14-9-15(2)12-24(11-14)13-17(4)23-21(25)19-10-16(3)22-20-8-6-5-7-18(19)20/h5-8,10,14-15,17H,9,11-13H2,1-4H3,(H,23,25)
InChIKeySHKTZOLYEIOJMX-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.64
Rot. Bonds4

About N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide

N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide (PubChem CID 60574501) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide
PubChem CID60574501
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CN2CC(C)CC(C)C2)c2ccccc2n1
InChIInChI=1S/C21H29N3O/c1-14-9-15(2)12-24(11-14)13-17(4)23-21(25)19-10-16(3)22-20-8-6-5-7-18(19)20/h5-8,10,14-15,17H,9,11-13H2,1-4H3,(H,23,25)
InChIKeySHKTZOLYEIOJMX-UHFFFAOYSA-N
XLogP3.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide (CID 60574501) is N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC(C)CN2CC(C)CC(C)C2)c2ccccc2n1.
What is the InChIKey of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide?
The InChIKey is SHKTZOLYEIOJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-14-9-15(2)12-24(11-14)13-17(4)23-21(25)19-10-16(3)22-20-8-6-5-7-18(19)20/h5-8,10,14-15,17H,9,11-13H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide?
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 60574501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).