methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate

C12H23N3O3 — CID 110810861

IUPACmethyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)9-13-10(16)14-5-7-15(8-6-14)11(17)18-4/h5-9H2,1-4H3,(H,13,16)
InChIKeyNZNANVVJYRZNDO-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.13
Rot. Bonds1

About methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate

methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate (PubChem CID 110810861) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate
PubChem CID110810861
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Namemethyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)9-13-10(16)14-5-7-15(8-6-14)11(17)18-4/h5-9H2,1-4H3,(H,13,16)
InChIKeyNZNANVVJYRZNDO-UHFFFAOYSA-N
XLogP1.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate
CID 70950413
4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811347
methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate
CID 64677969
N-(2,2-dimethylpropyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 110749479
4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110812395
methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 108913044
1-N,4-N-bis(2,2,2-trichloroethyl)piperazine-1,4-dicarboxamide
CID 19788814
N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide
CID 110822549
N-(2,2-dimethylpropyl)-4-(dimethylsulfamoyl)-1,4-diazepane-1-carboxamide
CID 110811940
4-(cyclopropanecarbonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822547
N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate (CID 110810861) is methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)NCC(C)(C)C)CC1.
What is the InChIKey of methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is NZNANVVJYRZNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)9-13-10(16)14-5-7-15(8-6-14)11(17)18-4/h5-9H2,1-4H3,(H,13,16).
What are the key properties of methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate?
methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110810861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).