N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide

C25H30N4O — CID 75419199

IUPACN-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide
SMILESO=C(CCNCc1cc2ccccc2nc1N1CCCCC1)NCc1ccccc1
InChIInChI=1S/C25H30N4O/c30-24(27-18-20-9-3-1-4-10-20)13-14-26-19-22-17-21-11-5-6-12-23(21)28-25(22)29-15-7-2-8-16-29/h1,3-6,9-12,17,26H,2,7-8,13-16,18-19H2,(H,27,30)
InChIKeyNYHNKRCEVGZUMN-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.02
Rot. Bonds8

About N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide

N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide (PubChem CID 75419199) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide
PubChem CID75419199
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide
SMILESO=C(CCNCc1cc2ccccc2nc1N1CCCCC1)NCc1ccccc1
InChIInChI=1S/C25H30N4O/c30-24(27-18-20-9-3-1-4-10-20)13-14-26-19-22-17-21-11-5-6-12-23(21)28-25(22)29-15-7-2-8-16-29/h1,3-6,9-12,17,26H,2,7-8,13-16,18-19H2,(H,27,30)
InChIKeyNYHNKRCEVGZUMN-UHFFFAOYSA-N
XLogP4.02
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide?
The IUPAC name of N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide (CID 75419199) is N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide.
What is the SMILES notation for N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide?
The canonical SMILES for N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide is O=C(CCNCc1cc2ccccc2nc1N1CCCCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide?
The InChIKey is NYHNKRCEVGZUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c30-24(27-18-20-9-3-1-4-10-20)13-14-26-19-22-17-21-11-5-6-12-23(21)28-25(22)29-15-7-2-8-16-29/h1,3-6,9-12,17,26H,2,7-8,13-16,18-19H2,(H,27,30).
What are the key properties of N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide?
N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide has a molecular weight of 402.54 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propanamide is sourced from PubChem (CID 75419199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).