N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide

C23H23N3O2 — CID 26977124

IUPACN-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc2cccnc12
InChIInChI=1S/C23H23N3O2/c27-22(20-8-4-6-18-7-5-13-24-21(18)20)25-16-17-9-11-19(12-10-17)23(28)26-14-2-1-3-15-26/h4-13H,1-3,14-16H2,(H,25,27)
InChIKeyKWTPDHOKSIWJMH-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.79
Rot. Bonds4

About N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide (PubChem CID 26977124) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide
PubChem CID26977124
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc2cccnc12
InChIInChI=1S/C23H23N3O2/c27-22(20-8-4-6-18-7-5-13-24-21(18)20)25-16-17-9-11-19(12-10-17)23(28)26-14-2-1-3-15-26/h4-13H,1-3,14-16H2,(H,25,27)
InChIKeyKWTPDHOKSIWJMH-UHFFFAOYSA-N
XLogP3.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide (CID 26977124) is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide is O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc2cccnc12.
What is the InChIKey of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide?
The InChIKey is KWTPDHOKSIWJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(20-8-4-6-18-7-5-13-24-21(18)20)25-16-17-9-11-19(12-10-17)23(28)26-14-2-1-3-15-26/h4-13H,1-3,14-16H2,(H,25,27).
What are the key properties of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide?
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 26977124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).