ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate

C17H24ClN3O3 — CID 110675422

IUPACethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NC(C)Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O3/c1-3-24-17(23)21-10-8-20(9-11-21)16(22)19-13(2)12-14-6-4-5-7-15(14)18/h4-7,13H,3,8-12H2,1-2H3,(H,19,22)
InChIKeyLFBVUQWATCDGFC-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.75
Rot. Bonds4

About ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate

ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate (PubChem CID 110675422) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
PubChem CID110675422
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Nameethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NC(C)Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O3/c1-3-24-17(23)21-10-8-20(9-11-21)16(22)19-13(2)12-14-6-4-5-7-15(14)18/h4-7,13H,3,8-12H2,1-2H3,(H,19,22)
InChIKeyLFBVUQWATCDGFC-UHFFFAOYSA-N
XLogP2.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 110675424
N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110675417
ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
CID 108867581
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
ethyl 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 46631043
ethyl 4-[(2-chlorophenyl)methyl]-4-methylpiperazin-4-ium-1-carboxylate
CID 3030267
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate (CID 110675422) is ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)NC(C)Cc2ccccc2Cl)CC1.
What is the InChIKey of ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate?
The InChIKey is LFBVUQWATCDGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-3-24-17(23)21-10-8-20(9-11-21)16(22)19-13(2)12-14-6-4-5-7-15(14)18/h4-7,13H,3,8-12H2,1-2H3,(H,19,22).
What are the key properties of ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate?
ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate has a molecular weight of 353.85 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110675422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).