methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate

C14H19N3O3 — CID 61042223

IUPACmethyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)CNc2ccccc2)CC1
InChIInChI=1S/C14H19N3O3/c1-20-14(19)17-9-7-16(8-10-17)13(18)11-15-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3
InChIKeyKGKICDPHYPXMNN-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.01
Rot. Bonds3

About methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate

methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate (PubChem CID 61042223) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
PubChem CID61042223
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)CNc2ccccc2)CC1
InChIInChI=1S/C14H19N3O3/c1-20-14(19)17-9-7-16(8-10-17)13(18)11-15-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3
InChIKeyKGKICDPHYPXMNN-UHFFFAOYSA-N
XLogP1.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119710193
2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 62890165
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843992
2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone
CID 70342538
methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
CID 17407026
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
methyl 4-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 109002062
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate (CID 61042223) is methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)CNc2ccccc2)CC1.
What is the InChIKey of methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate?
The InChIKey is KGKICDPHYPXMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-14(19)17-9-7-16(8-10-17)13(18)11-15-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3.
What are the key properties of methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate?
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 61042223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).