3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione

C14H13Cl2N3O2 — CID 162672411

IUPAC3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1NC(=O)C(Cc2cc3cc(Cl)c(Cl)cc3[nH]2)NC1=O
InChIInChI=1S/C14H13Cl2N3O2/c1-6-13(20)19-12(14(21)17-6)4-8-2-7-3-9(15)10(16)5-11(7)18-8/h2-3,5-6,12,18H,4H2,1H3,(H,17,21)(H,19,20)
InChIKeySRGHMFHWQVHQAN-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.02
Rot. Bonds2

About 3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione

3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 162672411) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID162672411
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1NC(=O)C(Cc2cc3cc(Cl)c(Cl)cc3[nH]2)NC1=O
InChIInChI=1S/C14H13Cl2N3O2/c1-6-13(20)19-12(14(21)17-6)4-8-2-7-3-9(15)10(16)5-11(7)18-8/h2-3,5-6,12,18H,4H2,1H3,(H,17,21)(H,19,20)
InChIKeySRGHMFHWQVHQAN-UHFFFAOYSA-N
XLogP2.02
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Cipargamin
CID 44469321
Jnj-7777120
CID 4908365
(5-chloro-1H-indol-2-yl)(piperazino)methanone
CID 21638785
Spiro[3H-indole-3,1'-[1H]pyrido[3,4-b]indol]-2(1H)-one,5-chloro-6',7'-difluoro-2',3',4',9'-tetrahydro-3'-methyl-,(1'R,3'S)-
CID 46179405
5-chloro-2-(piperidine-1-carbonyl)-1H-indole
CID 3939214
1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-6-chloro-
CID 197964
(2S,5S,8R,12R)-12-amino-5-benzyl-8-[(3,4-dichlorophenyl)methyl]-2-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
CID 11228042
(2S,5S,8R,12S)-12-amino-5-benzyl-8-[(3,4-dichlorophenyl)methyl]-2-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
CID 11285709
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
CID 3995234
(5-chloro-7-methyl-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 9860842
(6-Chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 9965450
(4,5-dichloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 11066922

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione (CID 162672411) is 3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione is CC1NC(=O)C(Cc2cc3cc(Cl)c(Cl)cc3[nH]2)NC1=O.
What is the InChIKey of 3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is SRGHMFHWQVHQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-6-13(20)19-12(14(21)17-6)4-8-2-7-3-9(15)10(16)5-11(7)18-8/h2-3,5-6,12,18H,4H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione?
3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione has a molecular weight of 326.18 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dichloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 162672411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).