N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide

C24H27N3O2 — CID 90654545

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C24H27N3O2/c1-17-20-9-5-6-10-21(20)26-24(29)22(17)23(28)25-15-18-11-13-27(14-12-18)16-19-7-3-2-4-8-19/h2-10,18H,11-16H2,1H3,(H,25,28)(H,26,29)
InChIKeySUWHBHPTLOJQSS-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.48
Rot. Bonds5

About N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide

N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 90654545) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID90654545
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C24H27N3O2/c1-17-20-9-5-6-10-21(20)26-24(29)22(17)23(28)25-15-18-11-13-27(14-12-18)16-19-7-3-2-4-8-19/h2-10,18H,11-16H2,1H3,(H,25,28)(H,26,29)
InChIKeySUWHBHPTLOJQSS-UHFFFAOYSA-N
XLogP3.48
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide (CID 90654545) is N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide is Cc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is SUWHBHPTLOJQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-20-9-5-6-10-21(20)26-24(29)22(17)23(28)25-15-18-11-13-27(14-12-18)16-19-7-3-2-4-8-19/h2-10,18H,11-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 90654545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).