N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide

C29H27N3O2 — CID 70692193

IUPACN-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
SMILESO=C(NCC1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C29H27N3O2/c33-28(26-17-8-12-22-13-9-18-30-27(22)26)31-20-23-14-6-7-19-32(23)29(34)25-16-5-4-15-24(25)21-10-2-1-3-11-21/h1-5,8-13,15-18,23H,6-7,14,19-20H2,(H,31,33)
InChIKeyWAKGEROYRUJRJS-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.33
Rot. Bonds5

About N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide

N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide (PubChem CID 70692193) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
PubChem CID70692193
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC NameN-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
SMILESO=C(NCC1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C29H27N3O2/c33-28(26-17-8-12-22-13-9-18-30-27(22)26)31-20-23-14-6-7-19-32(23)29(34)25-16-5-4-15-24(25)21-10-2-1-3-11-21/h1-5,8-13,15-18,23H,6-7,14,19-20H2,(H,31,33)
InChIKeyWAKGEROYRUJRJS-UHFFFAOYSA-N
XLogP5.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide (CID 70692193) is N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide is O=C(NCC1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12.
What is the InChIKey of N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide?
The InChIKey is WAKGEROYRUJRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c33-28(26-17-8-12-22-13-9-18-30-27(22)26)31-20-23-14-6-7-19-32(23)29(34)25-16-5-4-15-24(25)21-10-2-1-3-11-21/h1-5,8-13,15-18,23H,6-7,14,19-20H2,(H,31,33).
What are the key properties of N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide?
N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 70692193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).