ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate

C19H28N2O4 — CID 15212604

IUPACethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccccc2)C(CC(C)C(=O)OC)C1
InChIInChI=1S/C19H28N2O4/c1-4-25-19(23)21-11-10-20(13-16-8-6-5-7-9-16)17(14-21)12-15(2)18(22)24-3/h5-9,15,17H,4,10-14H2,1-3H3
InChIKeyFDYKHFYCBLAWBB-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.53
Rot. Bonds6

About ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate

ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate (PubChem CID 15212604) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
PubChem CID15212604
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nameethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccccc2)C(CC(C)C(=O)OC)C1
InChIInChI=1S/C19H28N2O4/c1-4-25-19(23)21-11-10-20(13-16-8-6-5-7-9-16)17(14-21)12-15(2)18(22)24-3/h5-9,15,17H,4,10-14H2,1-3H3
InChIKeyFDYKHFYCBLAWBB-UHFFFAOYSA-N
XLogP2.53
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-benzyl-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 51440417
benzyl (3R)-4-ethyl-3-(fluoromethyl)piperazine-1-carboxylate
CID 176897500
3-[(4-benzyl-3-ethylpiperazine-1-carbonyl)amino]propanoic acid
CID 122017912
tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate
CID 23247137
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate
CID 110393902
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
(1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate
CID 10476627
ethyl 2-(benzhydrylideneamino)-3-(1-benzylaziridin-2-yl)propanoate
CID 102133930
5-O-ethyl 7-O-methyl 1-benzyl-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5,7-dicarboxylate
CID 134920260
ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 67914576
tert-butyl 3-[[(3-amino-2,2-dimethyl-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-benzylpiperazine-1-carboxylate
CID 59325149

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate (CID 15212604) is ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2ccccc2)C(CC(C)C(=O)OC)C1.
What is the InChIKey of ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate?
The InChIKey is FDYKHFYCBLAWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-25-19(23)21-11-10-20(13-16-8-6-5-7-9-16)17(14-21)12-15(2)18(22)24-3/h5-9,15,17H,4,10-14H2,1-3H3.
What are the key properties of ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate?
ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzyl-3-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate is sourced from PubChem (CID 15212604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).