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4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid

C19H22N4O4 — CID 170350514

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid
SMILESCn1c(C2CCN(C(=O)O)CC2)cc2ccc(N3CCC(=O)NC3=O)cc21
InChIInChI=1S/C19H22N4O4/c1-21-15(12-4-7-22(8-5-12)19(26)27)10-13-2-3-14(11-16(13)21)23-9-6-17(24)20-18(23)25/h2-3,10-12H,4-9H2,1H3,(H,26,27)(H,20,24,25)
InChIKeyZNSFDRUVMLJGIV-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.48
Rot. Bonds2

About 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid

4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid (PubChem CID 170350514) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid
PubChem CID170350514
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid
SMILESCn1c(C2CCN(C(=O)O)CC2)cc2ccc(N3CCC(=O)NC3=O)cc21
InChIInChI=1S/C19H22N4O4/c1-21-15(12-4-7-22(8-5-12)19(26)27)10-13-2-3-14(11-16(13)21)23-9-6-17(24)20-18(23)25/h2-3,10-12H,4-9H2,1H3,(H,26,27)(H,20,24,25)
InChIKeyZNSFDRUVMLJGIV-UHFFFAOYSA-N
XLogP2.48
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid (CID 170350514) is 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid is Cn1c(C2CCN(C(=O)O)CC2)cc2ccc(N3CCC(=O)NC3=O)cc21.
What is the InChIKey of 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is ZNSFDRUVMLJGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-21-15(12-4-7-22(8-5-12)19(26)27)10-13-2-3-14(11-16(13)21)23-9-6-17(24)20-18(23)25/h2-3,10-12H,4-9H2,1H3,(H,26,27)(H,20,24,25).
What are the key properties of 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid?
4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 170350514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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