N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide

C21H30N4O2 — CID 110813029

IUPACN-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide
SMILESCc1c(CC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c2ccccc2n1C
InChIInChI=1S/C21H30N4O2/c1-15-17(16-8-6-7-9-18(16)23(15)5)14-19(26)24-10-12-25(13-11-24)20(27)22-21(2,3)4/h6-9H,10-14H2,1-5H3,(H,22,27)
InChIKeyVDWLHQOKNLFFKO-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.68
Rot. Bonds2

About N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide

N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide (PubChem CID 110813029) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide
PubChem CID110813029
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide
SMILESCc1c(CC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c2ccccc2n1C
InChIInChI=1S/C21H30N4O2/c1-15-17(16-8-6-7-9-18(16)23(15)5)14-19(26)24-10-12-25(13-11-24)20(27)22-21(2,3)4/h6-9H,10-14H2,1-5H3,(H,22,27)
InChIKeyVDWLHQOKNLFFKO-UHFFFAOYSA-N
XLogP2.68
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1,2-dimethylindol-3-yl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813872
2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone
CID 110768819
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(1,2-dimethylindol-3-yl)ethanone
CID 110800544
2-(1,2-dimethylindol-3-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110804596
1-[4-[2-(1,2-dimethylindol-3-yl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806360
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
N-tert-butyl-4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811839
1-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803980
N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide
CID 110810778
N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide
CID 110782396
N-tert-butyl-4-[2-(2-methoxyphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811866
2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 113211418

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide (CID 110813029) is N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide is Cc1c(CC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c2ccccc2n1C.
What is the InChIKey of N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide?
The InChIKey is VDWLHQOKNLFFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15-17(16-8-6-7-9-18(16)23(15)5)14-19(26)24-10-12-25(13-11-24)20(27)22-21(2,3)4/h6-9H,10-14H2,1-5H3,(H,22,27).
What are the key properties of N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide?
N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110813029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).