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

C14H14ClN3O2 — CID 162659445

IUPAC3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1NC(=O)C(Cc2cc3ccc(Cl)cc3[nH]2)NC1=O
InChIInChI=1S/C14H14ClN3O2/c1-7-13(19)18-12(14(20)16-7)6-10-4-8-2-3-9(15)5-11(8)17-10/h2-5,7,12,17H,6H2,1H3,(H,16,20)(H,18,19)
InChIKeyLGAJXSFPKBNOOB-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.37
Rot. Bonds2

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

3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 162659445) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID162659445
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1NC(=O)C(Cc2cc3ccc(Cl)cc3[nH]2)NC1=O
InChIInChI=1S/C14H14ClN3O2/c1-7-13(19)18-12(14(20)16-7)6-10-4-8-2-3-9(15)5-11(8)17-10/h2-5,7,12,17H,6H2,1H3,(H,16,20)(H,18,19)
InChIKeyLGAJXSFPKBNOOB-UHFFFAOYSA-N
XLogP1.37
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cipargamin
CID 44469321
Jnj-7777120
CID 4908365
Tryprostatin B
CID 9863281
Deoxybrevianamide E
CID 182203
Preechinulin
CID 44445554
(5-chloro-1H-indol-2-yl)(piperazino)methanone
CID 21638785
Tardioxopiperazine A
CID 10810596
1-[2-(4-chlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801009
1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 23647200
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
N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 4782931

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione (CID 162659445) is 3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione is CC1NC(=O)C(Cc2cc3ccc(Cl)cc3[nH]2)NC1=O.
What is the InChIKey of 3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is LGAJXSFPKBNOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-7-13(19)18-12(14(20)16-7)6-10-4-8-2-3-9(15)5-11(8)17-10/h2-5,7,12,17H,6H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione?
3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione has a molecular weight of 291.74 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 162659445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).