2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide

C20H26N4O3 — CID 29130725

IUPAC2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide
SMILESCC(C)CCNC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H26N4O3/c1-14(2)7-8-21-18(25)20(27)24-11-9-23(10-12-24)19(26)17-13-15-5-3-4-6-16(15)22-17/h3-6,13-14,22H,7-12H2,1-2H3,(H,21,25)
InChIKeyODRYKFZXXBWVNQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.61
Rot. Bonds4

About 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide

2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide (PubChem CID 29130725) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide
PubChem CID29130725
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide
SMILESCC(C)CCNC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H26N4O3/c1-14(2)7-8-21-18(25)20(27)24-11-9-23(10-12-24)19(26)17-13-15-5-3-4-6-16(15)22-17/h3-6,13-14,22H,7-12H2,1-2H3,(H,21,25)
InChIKeyODRYKFZXXBWVNQ-UHFFFAOYSA-N
XLogP1.61
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.61
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

2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 29134828
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 71946894
N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255167
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 29129307
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119767428
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119767406
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
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
N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816867

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide (CID 29130725) is 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide is CC(C)CCNC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide?
The InChIKey is ODRYKFZXXBWVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(2)7-8-21-18(25)20(27)24-11-9-23(10-12-24)19(26)17-13-15-5-3-4-6-16(15)22-17/h3-6,13-14,22H,7-12H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide?
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide has a molecular weight of 370.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide is sourced from PubChem (CID 29130725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).