methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate

C17H25N3O3 — CID 108884940

IUPACmethyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)13-5-7-14(8-6-13)18-15(21)19-9-11-20(12-10-19)16(22)23-4/h5-8H,9-12H2,1-4H3,(H,18,21)
InChIKeyZGYPAMDKBGPQHO-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.90
Rot. Bonds1

About methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate

methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate (PubChem CID 108884940) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
PubChem CID108884940
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Namemethyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)13-5-7-14(8-6-13)18-15(21)19-9-11-20(12-10-19)16(22)23-4/h5-8H,9-12H2,1-4H3,(H,18,21)
InChIKeyZGYPAMDKBGPQHO-UHFFFAOYSA-N
XLogP2.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
N-(4-tert-butylphenyl)-4-(3,3-dimethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 59143461
tert-butyl 4-[(4-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 47039906
N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113112711
N-(4-tert-butylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113112691
ethyl 4-[3-(4-tert-butylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950332
N-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107573
N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505505
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-[(4-tert-butylphenyl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71958612
N-(4-tert-butylphenyl)-4-(3,5-dichlorobenzoyl)-1,4-diazepane-1-carboxamide
CID 54584424

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate (CID 108884940) is methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is ZGYPAMDKBGPQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)13-5-7-14(8-6-13)18-15(21)19-9-11-20(12-10-19)16(22)23-4/h5-8H,9-12H2,1-4H3,(H,18,21).
What are the key properties of methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate?
methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108884940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).