3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide

C29H28N4O3 — CID 91557518

IUPAC3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1
InChIInChI=1S/C29H28N4O3/c1-2-13-33-14-11-24(12-15-33)32-29(34)23-16-27(35-25-7-3-21(19-30)4-8-25)18-28(17-23)36-26-9-5-22(20-31)6-10-26/h3-10,16-18,24H,2,11-15H2,1H3,(H,32,34)
InChIKeyRODFXWVPZPMKFR-UHFFFAOYSA-N
MW480.57 g/mol
LogP5.62
Rot. Bonds8

About 3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide

3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 91557518) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID91557518
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC Name3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1
InChIInChI=1S/C29H28N4O3/c1-2-13-33-14-11-24(12-15-33)32-29(34)23-16-27(35-25-7-3-21(19-30)4-8-25)18-28(17-23)36-26-9-5-22(20-31)6-10-26/h3-10,16-18,24H,2,11-15H2,1H3,(H,32,34)
InChIKeyRODFXWVPZPMKFR-UHFFFAOYSA-N
XLogP5.62
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17250187
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17249842
[4-[[3-(4-cyanobutoxy)-5-(4-cyanophenoxy)benzoyl]amino]cyclohexyl]carbamic acid
CID 141280481
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103951674
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide
CID 67607186

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide (CID 91557518) is 3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1.
What is the InChIKey of 3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is RODFXWVPZPMKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-2-13-33-14-11-24(12-15-33)32-29(34)23-16-27(35-25-7-3-21(19-30)4-8-25)18-28(17-23)36-26-9-5-22(20-31)6-10-26/h3-10,16-18,24H,2,11-15H2,1H3,(H,32,34).
What are the key properties of 3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide?
3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 480.57 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 91557518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).