5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide

C17H21N5O3 — CID 122159526

IUPAC5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(NC(=O)N3CC(=O)N(C)C(C)C3)ccc2[nH]1
InChIInChI=1S/C17H21N5O3/c1-10-8-22(9-15(23)21(10)3)17(25)19-12-4-5-13-11(6-12)7-14(20-13)16(24)18-2/h4-7,10,20H,8-9H2,1-3H3,(H,18,24)(H,19,25)
InChIKeyXNDLJPUJDIKVHW-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.22
Rot. Bonds2

About 5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide

5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide (PubChem CID 122159526) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide
PubChem CID122159526
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(NC(=O)N3CC(=O)N(C)C(C)C3)ccc2[nH]1
InChIInChI=1S/C17H21N5O3/c1-10-8-22(9-15(23)21(10)3)17(25)19-12-4-5-13-11(6-12)7-14(20-13)16(24)18-2/h4-7,10,20H,8-9H2,1-3H3,(H,18,24)(H,19,25)
InChIKeyXNDLJPUJDIKVHW-UHFFFAOYSA-N
XLogP1.22
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide
CID 166405184
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide
CID 136538752
5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide
CID 154844070
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
3,4,5-trimethyl-N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]piperazine-1-carboxamide
CID 21477610
N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
CID 175836307
N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide
CID 167951270
N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide
CID 166223466
[difluoro-[2-(methylcarbamoyl)-1H-indol-5-yl]methyl]phosphonic acid
CID 169170618
5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747078
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221438
5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide
CID 154798871

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide (CID 122159526) is 5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide is CNC(=O)c1cc2cc(NC(=O)N3CC(=O)N(C)C(C)C3)ccc2[nH]1.
What is the InChIKey of 5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is XNDLJPUJDIKVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-10-8-22(9-15(23)21(10)3)17(25)19-12-4-5-13-11(6-12)7-14(20-13)16(24)18-2/h4-7,10,20H,8-9H2,1-3H3,(H,18,24)(H,19,25).
What are the key properties of 5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide?
5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 122159526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).