2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide

C20H20N4O2 — CID 167822035

IUPAC2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)c1
InChIInChI=1S/C20H20N4O2/c21-13-14-5-4-6-15(11-14)20(26)23-18-8-7-16(12-17(18)19(22)25)24-9-2-1-3-10-24/h4-8,11-12H,1-3,9-10H2,(H2,22,25)(H,23,26)
InChIKeyDABLLYLIOSEYFQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.90
Rot. Bonds4

About 2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide

2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide (PubChem CID 167822035) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide
PubChem CID167822035
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)c1
InChIInChI=1S/C20H20N4O2/c21-13-14-5-4-6-15(11-14)20(26)23-18-8-7-16(12-17(18)19(22)25)24-9-2-1-3-10-24/h4-8,11-12H,1-3,9-10H2,(H2,22,25)(H,23,26)
InChIKeyDABLLYLIOSEYFQ-UHFFFAOYSA-N
XLogP2.90
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide?
The IUPAC name of 2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide (CID 167822035) is 2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide?
The canonical SMILES for 2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide is N#Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)c1.
What is the InChIKey of 2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide?
The InChIKey is DABLLYLIOSEYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-13-14-5-4-6-15(11-14)20(26)23-18-8-7-16(12-17(18)19(22)25)24-9-2-1-3-10-24/h4-8,11-12H,1-3,9-10H2,(H2,22,25)(H,23,26).
What are the key properties of 2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide?
2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide has a molecular weight of 348.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 167822035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).