[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate

C16H22ClN3O3 — CID 174768401

IUPAC[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O3/c1-16(2,3)14(21)23-20-10-8-19(9-11-20)15(22)18-13-6-4-12(17)5-7-13/h4-7H,8-11H2,1-3H3,(H,18,22)
InChIKeyMOWIAEFBFQHQMG-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.99
Rot. Bonds2

About [4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate

[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174768401) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate
PubChem CID174768401
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O3/c1-16(2,3)14(21)23-20-10-8-19(9-11-20)15(22)18-13-6-4-12(17)5-7-13/h4-7H,8-11H2,1-3H3,(H,18,22)
InChIKeyMOWIAEFBFQHQMG-UHFFFAOYSA-N
XLogP2.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 17478962
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide
CID 9166248
N-(4-chlorophenyl)-4-[3-(dimethylamino)propanoyl]piperazine-1-carboxamide
CID 110422231
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
CID 108884940
N-(4-chlorophenyl)-4-(cyanomethyl)piperazine-1-carboxamide
CID 60970982
N-(4-chlorophenyl)-4-(2,2-difluoroacetyl)-1,4-diazepane-1-carboxamide
CID 99841434

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate (CID 174768401) is [4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is MOWIAEFBFQHQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-16(2,3)14(21)23-20-10-8-19(9-11-20)15(22)18-13-6-4-12(17)5-7-13/h4-7H,8-11H2,1-3H3,(H,18,22).
What are the key properties of [4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate?
[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 339.82 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174768401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).