4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide

C19H31N3O — CID 113110317

IUPAC4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C19H31N3O/c1-6-15-9-8-10-16(7-2)17(15)20-18(23)21-11-13-22(14-12-21)19(3,4)5/h8-10H,6-7,11-14H2,1-5H3,(H,20,23)
InChIKeyRBLYCVIAPKYKDA-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.76
Rot. Bonds3

About 4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide

4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide (PubChem CID 113110317) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide
PubChem CID113110317
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C19H31N3O/c1-6-15-9-8-10-16(7-2)17(15)20-18(23)21-11-13-22(14-12-21)19(3,4)5/h8-10H,6-7,11-14H2,1-5H3,(H,20,23)
InChIKeyRBLYCVIAPKYKDA-UHFFFAOYSA-N
XLogP3.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 82090590
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3600955
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802
4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110355
N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101857
N-(2,6-diethylphenyl)-3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108961095
2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide
CID 3538975
4-tert-butyl-N-methylpiperazine-1-carboxamide
CID 59788280
4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 130320192

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide (CID 113110317) is 4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide is CCc1cccc(CC)c1NC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide?
The InChIKey is RBLYCVIAPKYKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-6-15-9-8-10-16(7-2)17(15)20-18(23)21-11-13-22(14-12-21)19(3,4)5/h8-10H,6-7,11-14H2,1-5H3,(H,20,23).
What are the key properties of 4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide?
4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).