3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide

C30H36N4O2 — CID 10206319

IUPAC3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-13-15-26(16-14-24)34(28-12-8-11-25(21-28)29(31)35)27-17-19-32(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22H2,1-2H3,(H2,31,35)
InChIKeyYCKPFIZUVGRVLD-UHFFFAOYSA-N
MW484.64 g/mol
LogP5.07
Rot. Bonds9

About 3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide

3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide (PubChem CID 10206319) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide.

Molecular Properties

Compound Name3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide
PubChem CID10206319
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC Name3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-13-15-26(16-14-24)34(28-12-8-11-25(21-28)29(31)35)27-17-19-32(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22H2,1-2H3,(H2,31,35)
InChIKeyYCKPFIZUVGRVLD-UHFFFAOYSA-N
XLogP5.07
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide?
The IUPAC name of 3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide (CID 10206319) is 3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide.
What is the SMILES notation for 3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide?
The canonical SMILES for 3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide?
The InChIKey is YCKPFIZUVGRVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-13-15-26(16-14-24)34(28-12-8-11-25(21-28)29(31)35)27-17-19-32(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22H2,1-2H3,(H2,31,35).
What are the key properties of 3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide?
3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide has a molecular weight of 484.64 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]benzamide is sourced from PubChem (CID 10206319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).