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

C24H30Cl2N4O — CID 53307548

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

3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide (PubChem CID 53307548) has the molecular formula C24H30Cl2N4O and a molecular weight of 461.44 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
• PubChem CID: 53307548
• Molecular Formula: C24H30Cl2N4O
• Molecular Weight: 461.44 g/mol
• Exact Mass: 460.18
• IUPAC Name: 3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
• SMILES: O=C(Nc1cccnc1N1CCC(CCN2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C24H30Cl2N4O/c25-20-7-6-19(17-21(20)26)24(31)28-22-5-4-11-27-23(22)30-15-9-18(10-16-30)8-14-29-12-2-1-3-13-29/h4-7,11,17-18H,1-3,8-10,12-16H2,(H,28,31)
• InChIKey: FLYXGCBQCDFJPW-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 3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?

The IUPAC name of 3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide (CID 53307548) is 3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide.

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

The canonical SMILES for 3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide is O=C(Nc1cccnc1N1CCC(CCN2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1.

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

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

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

3,4-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 3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 53307548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).