4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide

C27H25N3O — CID 66815466

IUPAC4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc(N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H25N3O/c31-27(29-24-18-23-8-4-5-9-26(23)28-19-24)22-10-12-25(13-11-22)30-16-14-21(15-17-30)20-6-2-1-3-7-20/h1-13,18-19,21H,14-17H2,(H,29,31)
InChIKeyKDPSQCUKFNXTGU-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.87
Rot. Bonds4

About 4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide

4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide (PubChem CID 66815466) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide
PubChem CID66815466
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc(N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H25N3O/c31-27(29-24-18-23-8-4-5-9-26(23)28-19-24)22-10-12-25(13-11-22)30-16-14-21(15-17-30)20-6-2-1-3-7-20/h1-13,18-19,21H,14-17H2,(H,29,31)
InChIKeyKDPSQCUKFNXTGU-UHFFFAOYSA-N
XLogP5.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489
4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815608
4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
CID 10406295
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66816166
1-(quinolin-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032131
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
1-methyl-N-quinolin-3-yl-2,3-dihydroindole-5-carboxamide
CID 10447706
1-cyclohexyl-N-quinolin-3-ylindole-5-carboxamide
CID 66815788
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide (CID 66815466) is 4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide is O=C(Nc1cnc2ccccc2c1)c1ccc(N2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide?
The InChIKey is KDPSQCUKFNXTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c31-27(29-24-18-23-8-4-5-9-26(23)28-19-24)22-10-12-25(13-11-22)30-16-14-21(15-17-30)20-6-2-1-3-7-20/h1-13,18-19,21H,14-17H2,(H,29,31).
What are the key properties of 4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide?
4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide has a molecular weight of 407.52 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 66815466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).