1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione

C19H24N4O2 — CID 178074037

IUPAC1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione
SMILESCc1c(C2CCNCC2)c2cccc(N3CCC(=O)NC3=O)c2n1C
InChIInChI=1S/C19H24N4O2/c1-12-17(13-6-9-20-10-7-13)14-4-3-5-15(18(14)22(12)2)23-11-8-16(24)21-19(23)25/h3-5,13,20H,6-11H2,1-2H3,(H,21,24,25)
InChIKeyCDSGDEHXNLXVQG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.40
Rot. Bonds2

About 1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione

1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione (PubChem CID 178074037) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione
PubChem CID178074037
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione
SMILESCc1c(C2CCNCC2)c2cccc(N3CCC(=O)NC3=O)c2n1C
InChIInChI=1S/C19H24N4O2/c1-12-17(13-6-9-20-10-7-13)14-4-3-5-15(18(14)22(12)2)23-11-8-16(24)21-19(23)25/h3-5,13,20H,6-11H2,1-2H3,(H,21,24,25)
InChIKeyCDSGDEHXNLXVQG-UHFFFAOYSA-N
XLogP2.40
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione (CID 178074037) is 1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione is Cc1c(C2CCNCC2)c2cccc(N3CCC(=O)NC3=O)c2n1C.
What is the InChIKey of 1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione?
The InChIKey is CDSGDEHXNLXVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-17(13-6-9-20-10-7-13)14-4-3-5-15(18(14)22(12)2)23-11-8-16(24)21-19(23)25/h3-5,13,20H,6-11H2,1-2H3,(H,21,24,25).
What are the key properties of 1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione?
1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione has a molecular weight of 340.43 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178074037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).