N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide

C20H26N4O3 — CID 155255237

IUPACN-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CN(C(=O)C(=O)NC(C)(C)C)CCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H26N4O3/c1-13-12-23(19(27)17(25)22-20(2,3)4)9-10-24(13)18(26)16-11-14-7-5-6-8-15(14)21-16/h5-8,11,13,21H,9-10,12H2,1-4H3,(H,22,25)/t13-/m0/s1
InChIKeyARBYRWGVZXQLAF-ZDUSSCGKSA-N
MW370.45 g/mol
LogP1.76
Rot. Bonds1

About N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide

N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide (PubChem CID 155255237) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide
PubChem CID155255237
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CN(C(=O)C(=O)NC(C)(C)C)CCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H26N4O3/c1-13-12-23(19(27)17(25)22-20(2,3)4)9-10-24(13)18(26)16-11-14-7-5-6-8-15(14)21-16/h5-8,11,13,21H,9-10,12H2,1-4H3,(H,22,25)/t13-/m0/s1
InChIKeyARBYRWGVZXQLAF-ZDUSSCGKSA-N
XLogP1.76
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide (CID 155255237) is N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide is C[C@H]1CN(C(=O)C(=O)NC(C)(C)C)CCN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide?
The InChIKey is ARBYRWGVZXQLAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-12-23(19(27)17(25)22-20(2,3)4)9-10-24(13)18(26)16-11-14-7-5-6-8-15(14)21-16/h5-8,11,13,21H,9-10,12H2,1-4H3,(H,22,25)/t13-/m0/s1.
What are the key properties of N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide?
N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide has a molecular weight of 370.45 g/mol, XLogP of 1.76, 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-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 155255237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).