2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide

C28H35N3O2 — CID 24865542

IUPAC2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1
InChIInChI=1S/C28H35N3O2/c1-20(2)28(32)30-24-7-4-6-23(19-24)18-22-12-14-31(15-13-22)16-17-33-27-9-5-8-26-25(27)11-10-21(3)29-26/h4-11,19-20,22H,12-18H2,1-3H3,(H,30,32)
InChIKeyQCPJQUXIKFUXFN-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.47
Rot. Bonds8

About 2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide

2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide (PubChem CID 24865542) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide
PubChem CID24865542
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1
InChIInChI=1S/C28H35N3O2/c1-20(2)28(32)30-24-7-4-6-23(19-24)18-22-12-14-31(15-13-22)16-17-33-27-9-5-8-26-25(27)11-10-21(3)29-26/h4-11,19-20,22H,12-18H2,1-3H3,(H,30,32)
InChIKeyQCPJQUXIKFUXFN-UHFFFAOYSA-N
XLogP5.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide (CID 24865542) is 2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide is Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1.
What is the InChIKey of 2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide?
The InChIKey is QCPJQUXIKFUXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-20(2)28(32)30-24-7-4-6-23(19-24)18-22-12-14-31(15-13-22)16-17-33-27-9-5-8-26-25(27)11-10-21(3)29-26/h4-11,19-20,22H,12-18H2,1-3H3,(H,30,32).
What are the key properties of 2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide?
2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide has a molecular weight of 445.61 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide is sourced from PubChem (CID 24865542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).