4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide

C32H40N4O4 — CID 10437400

IUPAC4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C2(C3CCN(C4CCN(C(=O)c5cccc6[nH]ccc56)CC4)CC3)OCCO2)cc1
InChIInChI=1S/C32H40N4O4/c1-22(2)34-30(37)23-6-8-24(9-7-23)32(39-20-21-40-32)25-11-16-35(17-12-25)26-13-18-36(19-14-26)31(38)28-4-3-5-29-27(28)10-15-33-29/h3-10,15,22,25-26,33H,11-14,16-21H2,1-2H3,(H,34,37)
InChIKeyKSHXUXNLMDHCOP-UHFFFAOYSA-N
MW544.70 g/mol
LogP4.52
Rot. Bonds6

About 4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide

4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide (PubChem CID 10437400) has the molecular formula C32H40N4O4 and a molecular weight of 544.70 g/mol. Its IUPAC name is 4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide
PubChem CID10437400
Molecular FormulaC32H40N4O4
Molecular Weight544.70 g/mol
Exact Mass544.30
IUPAC Name4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C2(C3CCN(C4CCN(C(=O)c5cccc6[nH]ccc56)CC4)CC3)OCCO2)cc1
InChIInChI=1S/C32H40N4O4/c1-22(2)34-30(37)23-6-8-24(9-7-23)32(39-20-21-40-32)25-11-16-35(17-12-25)26-13-18-36(19-14-26)31(38)28-4-3-5-29-27(28)10-15-33-29/h3-10,15,22,25-26,33H,11-14,16-21H2,1-2H3,(H,34,37)
InChIKeyKSHXUXNLMDHCOP-UHFFFAOYSA-N
XLogP4.52
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.70
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide (CID 10437400) is 4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(C2(C3CCN(C4CCN(C(=O)c5cccc6[nH]ccc56)CC4)CC3)OCCO2)cc1.
What is the InChIKey of 4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide?
The InChIKey is KSHXUXNLMDHCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O4/c1-22(2)34-30(37)23-6-8-24(9-7-23)32(39-20-21-40-32)25-11-16-35(17-12-25)26-13-18-36(19-14-26)31(38)28-4-3-5-29-27(28)10-15-33-29/h3-10,15,22,25-26,33H,11-14,16-21H2,1-2H3,(H,34,37).
What are the key properties of 4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide?
4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide has a molecular weight of 544.70 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[1-(1H-indole-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-1,3-dioxolan-2-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 10437400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).