N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

C19H24N4O3 — CID 155255167

IUPACN-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H24N4O3/c1-19(2,3)21-16(24)18(26)23-10-8-22(9-11-23)17(25)15-12-13-6-4-5-7-14(13)20-15/h4-7,12,20H,8-11H2,1-3H3,(H,21,24)
InChIKeyNDSNTFCAWUXSNO-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.37
Rot. Bonds1

About N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 155255167) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID155255167
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H24N4O3/c1-19(2,3)21-16(24)18(26)23-10-8-22(9-11-23)17(25)15-12-13-6-4-5-7-14(13)20-15/h4-7,12,20H,8-11H2,1-3H3,(H,21,24)
InChIKeyNDSNTFCAWUXSNO-UHFFFAOYSA-N
XLogP1.37
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide
CID 155255237
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide
CID 29130725
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 29134828
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255114
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide
CID 71946896
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 29129307
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 71946894
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (CID 155255167) is N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is CC(C)(C)NC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is NDSNTFCAWUXSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2,3)21-16(24)18(26)23-10-8-22(9-11-23)17(25)15-12-13-6-4-5-7-14(13)20-15/h4-7,12,20H,8-11H2,1-3H3,(H,21,24).
What are the key properties of N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 356.43 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 155255167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).