methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate

C14H19N3O3 — CID 113078316

IUPACmethyl 4-(4-acetamidophenyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C14H19N3O3/c1-11(18)15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(19)20-2/h3-6H,7-10H2,1-2H3,(H,15,18)
InChIKeyUTTMDIPNWUWFLC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.53
Rot. Bonds2

About methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate

methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate (PubChem CID 113078316) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-acetamidophenyl)piperazine-1-carboxylate
PubChem CID113078316
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 4-(4-acetamidophenyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C14H19N3O3/c1-11(18)15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(19)20-2/h3-6H,7-10H2,1-2H3,(H,15,18)
InChIKeyUTTMDIPNWUWFLC-UHFFFAOYSA-N
XLogP1.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
methyl 4-(4-aminophenyl)piperazine-1-carboxylate
CID 43461605
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 2838036
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]acetamide
CID 44590474
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
N-[4-(4-hydroxypiperidin-1-yl)phenyl]acetamide
CID 57253854
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 56762711
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate (CID 113078316) is methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate is COC(=O)N1CCN(c2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate?
The InChIKey is UTTMDIPNWUWFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11(18)15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(19)20-2/h3-6H,7-10H2,1-2H3,(H,15,18).
What are the key properties of methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate?
methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 113078316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).