N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

C21H31N3O2 — CID 109139052

IUPACN-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3CC3C(=O)NC(C)(C)C)CC2)c1C
InChIInChI=1S/C21H31N3O2/c1-14-7-6-8-18(15(14)2)23-9-11-24(12-10-23)20(26)17-13-16(17)19(25)22-21(3,4)5/h6-8,16-17H,9-13H2,1-5H3,(H,22,25)
InChIKeyFIUFMHXADXIFPB-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.50
Rot. Bonds3

About N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 109139052) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID109139052
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3CC3C(=O)NC(C)(C)C)CC2)c1C
InChIInChI=1S/C21H31N3O2/c1-14-7-6-8-18(15(14)2)23-9-11-24(12-10-23)20(26)17-13-16(17)19(25)22-21(3,4)5/h6-8,16-17H,9-13H2,1-5H3,(H,22,25)
InChIKeyFIUFMHXADXIFPB-UHFFFAOYSA-N
XLogP2.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131851
N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139071
trans-(1S,2S)-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 753081
2-bicyclo[2.2.1]heptanyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 3117541
1-(azepan-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropane-1,3-dione
CID 108965457
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 3283433
1-tert-butyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17081187
2-(tert-butylamino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 109004217
N-tert-butyl-2-[[C-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]acetamide;hydroiodide
CID 111238432
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 110687151

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (CID 109139052) is N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is Cc1cccc(N2CCN(C(=O)C3CC3C(=O)NC(C)(C)C)CC2)c1C.
What is the InChIKey of N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is FIUFMHXADXIFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14-7-6-8-18(15(14)2)23-9-11-24(12-10-23)20(26)17-13-16(17)19(25)22-21(3,4)5/h6-8,16-17H,9-13H2,1-5H3,(H,22,25).
What are the key properties of N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 109139052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).