1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione

C19H24N4O2 — CID 169002977

IUPAC1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione
SMILESCN1CCC(c2cc3ccc(N4CCC(=O)NC4=O)cc3n2C)CC1
InChIInChI=1S/C19H24N4O2/c1-21-8-5-13(6-9-21)16-11-14-3-4-15(12-17(14)22(16)2)23-10-7-18(24)20-19(23)25/h3-4,11-13H,5-10H2,1-2H3,(H,20,24,25)
InChIKeyVYBISWDTACOLHC-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.43
Rot. Bonds2

About 1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione

1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 169002977) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione
PubChem CID169002977
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione
SMILESCN1CCC(c2cc3ccc(N4CCC(=O)NC4=O)cc3n2C)CC1
InChIInChI=1S/C19H24N4O2/c1-21-8-5-13(6-9-21)16-11-14-3-4-15(12-17(14)22(16)2)23-10-7-18(24)20-19(23)25/h3-4,11-13H,5-10H2,1-2H3,(H,20,24,25)
InChIKeyVYBISWDTACOLHC-UHFFFAOYSA-N
XLogP2.43
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Methyl-1H-indol-3-ylmethylene)-1-phenyl-pyrimidine-2,4,6-trione
CID 1817641
N-[4-(1-isobutyrylpiperidin-4-yl)phenyl]-1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510249
1-(9-Methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(2-phenylethyl)piperazin-2-one
CID 58092191
4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
CID 18436118
1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylpyridin-2(1H)-one
CID 44194383
(5E)-1-ethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 5738020
(5E)-1-Ethyl-5-({1-[2-oxo-2-(piperidin-1-YL)ethyl]-1H-indol-3-YL}methylidene)-1,3-diazinane-2,4,6-trione
CID 6307542
1-(2,3-dimethyl-1H-indol-6-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
CID 11477384
1-methyl-1-phenyl-3-(3-(pyridin-4-yl)-1H-indol-6-yl)urea
CID 11962096
6-isobutyl-4-{[1-(6-methylpyridin-2-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonyl}pyrimidin-2(1H)-one
CID 16187921
1-methyl-3-(2-methyl-3-(pyridin-4-yl)-1H-indol-6-yl)-1-phenylurea
CID 44410601
3-Dimethylamino-N-[6-(3-dimethylamino-propionylamino)-acridin-3-yl]-propionamide
CID 44461129

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione (CID 169002977) is 1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione is CN1CCC(c2cc3ccc(N4CCC(=O)NC4=O)cc3n2C)CC1.
What is the InChIKey of 1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is VYBISWDTACOLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-21-8-5-13(6-9-21)16-11-14-3-4-15(12-17(14)22(16)2)23-10-7-18(24)20-19(23)25/h3-4,11-13H,5-10H2,1-2H3,(H,20,24,25).
What are the key properties of 1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione?
1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 340.43 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 169002977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).