N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide

C19H25N3O — CID 142975144

IUPACN-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide
SMILESCC(C)CN(C(=O)c1ccc2ncccc2c1)C1CCCNC1
InChIInChI=1S/C19H25N3O/c1-14(2)13-22(17-6-4-9-20-12-17)19(23)16-7-8-18-15(11-16)5-3-10-21-18/h3,5,7-8,10-11,14,17,20H,4,6,9,12-13H2,1-2H3
InChIKeyGFWNLJAIRJCUKN-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.09
Rot. Bonds4

About N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide

N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide (PubChem CID 142975144) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide
PubChem CID142975144
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide
SMILESCC(C)CN(C(=O)c1ccc2ncccc2c1)C1CCCNC1
InChIInChI=1S/C19H25N3O/c1-14(2)13-22(17-6-4-9-20-12-17)19(23)16-7-8-18-15(11-16)5-3-10-21-18/h3,5,7-8,10-11,14,17,20H,4,6,9,12-13H2,1-2H3
InChIKeyGFWNLJAIRJCUKN-UHFFFAOYSA-N
XLogP3.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide (CID 142975144) is N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide is CC(C)CN(C(=O)c1ccc2ncccc2c1)C1CCCNC1.
What is the InChIKey of N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide?
The InChIKey is GFWNLJAIRJCUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(2)13-22(17-6-4-9-20-12-17)19(23)16-7-8-18-15(11-16)5-3-10-21-18/h3,5,7-8,10-11,14,17,20H,4,6,9,12-13H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide?
N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide is sourced from PubChem (CID 142975144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).