1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

C27H27N3O3 — CID 16679324

About 1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 16679324) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 16679324
• Molecular Formula: C27H27N3O3
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.21
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: O=C(Nc1cccc(-c2ccc(N3CCCCC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C27H27N3O3/c31-26(27(13-14-27)20-9-12-23-24(17-20)33-18-32-23)29-25-6-4-5-22(28-25)19-7-10-21(11-8-19)30-15-2-1-3-16-30/h4-12,17H,1-3,13-16,18H2,(H,28,29,31)
• InChIKey: IHGGQBUEOCXHJU-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 16679324) is 1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is O=C(Nc1cccc(-c2ccc(N3CCCCC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is IHGGQBUEOCXHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c31-26(27(13-14-27)20-9-12-23-24(17-20)33-18-32-23)29-25-6-4-5-22(28-25)19-7-10-21(11-8-19)30-15-2-1-3-16-30/h4-12,17H,1-3,13-16,18H2,(H,28,29,31).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?

1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 16679324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).