2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide

C25H25ClN4O3 — CID 24987657

IUPAC2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(C(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C25H25ClN4O3/c1-27-23(31)15-29-14-20(19-7-6-17(26)13-22(19)29)25(33)28-10-8-18(9-11-28)30-21-5-3-2-4-16(21)12-24(30)32/h2-7,13-14,18H,8-12,15H2,1H3,(H,27,31)
InChIKeyYWYHVRRILIMRRZ-UHFFFAOYSA-N
MW464.95 g/mol
LogP3.23
Rot. Bonds4

About 2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide

2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide (PubChem CID 24987657) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is 2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
PubChem CID24987657
Molecular FormulaC25H25ClN4O3
Molecular Weight464.95 g/mol
Exact Mass464.16
IUPAC Name2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(C(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C25H25ClN4O3/c1-27-23(31)15-29-14-20(19-7-6-17(26)13-22(19)29)25(33)28-10-8-18(9-11-28)30-21-5-3-2-4-16(21)12-24(30)32/h2-7,13-14,18H,8-12,15H2,1H3,(H,27,31)
InChIKeyYWYHVRRILIMRRZ-UHFFFAOYSA-N
XLogP3.23
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide (CID 24987657) is 2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(C(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)c2ccc(Cl)cc21.
What is the InChIKey of 2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide?
The InChIKey is YWYHVRRILIMRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3/c1-27-23(31)15-29-14-20(19-7-6-17(26)13-22(19)29)25(33)28-10-8-18(9-11-28)30-21-5-3-2-4-16(21)12-24(30)32/h2-7,13-14,18H,8-12,15H2,1H3,(H,27,31).
What are the key properties of 2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide?
2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide has a molecular weight of 464.95 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide is sourced from PubChem (CID 24987657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).