N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide

C14H18N4O2 — CID 102712665

IUPACN-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCN1CCN(NC(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C14H18N4O2/c1-17-4-6-18(7-5-17)16-14(20)10-2-3-12-11(8-10)9-13(19)15-12/h2-3,8H,4-7,9H2,1H3,(H,15,19)(H,16,20)
InChIKeyCDEBIKQWUFMCSO-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.07
Rot. Bonds2

About N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide

N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 102712665) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID102712665
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCN1CCN(NC(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C14H18N4O2/c1-17-4-6-18(7-5-17)16-14(20)10-2-3-12-11(8-10)9-13(19)15-12/h2-3,8H,4-7,9H2,1H3,(H,15,19)(H,16,20)
InChIKeyCDEBIKQWUFMCSO-UHFFFAOYSA-N
XLogP0.07
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-piperidin-1-yl-1,3-dihydroindole-6-carboxamide
CID 102712663
N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83015501
1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione
CID 110344805
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103868642
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712504
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
N-(3-methylcyclobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103720343
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide (CID 102712665) is N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide is CN1CCN(NC(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is CDEBIKQWUFMCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-4-6-18(7-5-17)16-14(20)10-2-3-12-11(8-10)9-13(19)15-12/h2-3,8H,4-7,9H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 102712665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).