3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide

C24H30Cl2N4O — CID 53307462

About 3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide

3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide (PubChem CID 53307462) has the molecular formula C24H30Cl2N4O and a molecular weight of 461.44 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
• PubChem CID: 53307462
• Molecular Formula: C24H30Cl2N4O
• Molecular Weight: 461.44 g/mol
• Exact Mass: 460.18
• IUPAC Name: 3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
• SMILES: O=C(Nc1cccnc1N1CCC(CCN2CCCCC2)CC1)c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C24H30Cl2N4O/c25-20-15-19(16-21(26)17-20)24(31)28-22-5-4-9-27-23(22)30-13-7-18(8-14-30)6-12-29-10-2-1-3-11-29/h4-5,9,15-18H,1-3,6-8,10-14H2,(H,28,31)
• InChIKey: FYXDIPYENOOLEH-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.44
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?

The IUPAC name of 3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide (CID 53307462) is 3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide.

What is the SMILES notation for 3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?

The canonical SMILES for 3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide is O=C(Nc1cccnc1N1CCC(CCN2CCCCC2)CC1)c1cc(Cl)cc(Cl)c1.

What is the InChIKey of 3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?

The InChIKey is FYXDIPYENOOLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O/c25-20-15-19(16-21(26)17-20)24(31)28-22-5-4-9-27-23(22)30-13-7-18(8-14-30)6-12-29-10-2-1-3-11-29/h4-5,9,15-18H,1-3,6-8,10-14H2,(H,28,31).

What are the key properties of 3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?

3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 461.44 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 53307462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).