1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione

C18H22N4O2 — CID 176562820

IUPAC1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione
SMILESCc1c(N2CCC(=O)NC2=O)ccc2c1ccn2C1CCNCC1
InChIInChI=1S/C18H22N4O2/c1-12-14-6-10-21(13-4-8-19-9-5-13)16(14)3-2-15(12)22-11-7-17(23)20-18(22)24/h2-3,6,10,13,19H,4-5,7-9,11H2,1H3,(H,20,23,24)
InChIKeyXIMLFOTWIQXGKP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.32
Rot. Bonds2

About 1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione

1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione (PubChem CID 176562820) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione
PubChem CID176562820
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione
SMILESCc1c(N2CCC(=O)NC2=O)ccc2c1ccn2C1CCNCC1
InChIInChI=1S/C18H22N4O2/c1-12-14-6-10-21(13-4-8-19-9-5-13)16(14)3-2-15(12)22-11-7-17(23)20-18(22)24/h2-3,6,10,13,19H,4-5,7-9,11H2,1H3,(H,20,23,24)
InChIKeyXIMLFOTWIQXGKP-UHFFFAOYSA-N
XLogP2.32
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1-piperidin-4-ylindol-4-yl)-1,3-diazinane-2,4-dione
CID 178074052
1-[4-fluoro-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]indol-5-yl]-1,3-diazinane-2,4-dione
CID 176561847
1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3,4-dimethylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176561926
1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione
CID 171406571
1-(1,2-dimethyl-3-piperidin-4-ylindol-7-yl)-1,3-diazinane-2,4-dione
CID 178074037
1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176561856
tert-butyl 4-[5-(2,4-dioxo-1,3-diazinan-1-yl)-4,6-difluoroindol-1-yl]piperidine-1-carboxylate
CID 176562903
1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione
CID 177065367
1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione
CID 168870529
1-[1-[3-[[1-[2-fluoro-5-[3-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenyl]piperidin-4-yl]methyl]-3-azaspiro[5.5]undecan-9-yl]-4-methylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176563306
1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione
CID 170954148
1-[3-cyclopropyl-1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-6-methylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176563127

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione (CID 176562820) is 1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione is Cc1c(N2CCC(=O)NC2=O)ccc2c1ccn2C1CCNCC1.
What is the InChIKey of 1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione?
The InChIKey is XIMLFOTWIQXGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-14-6-10-21(13-4-8-19-9-5-13)16(14)3-2-15(12)22-11-7-17(23)20-18(22)24/h2-3,6,10,13,19H,4-5,7-9,11H2,1H3,(H,20,23,24).
What are the key properties of 1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione?
1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione has a molecular weight of 326.40 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176562820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).