ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate

C16H29N3O5S — CID 113137250

IUPACethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCN(C2CCCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H29N3O5S/c1-3-24-16(21)18-12-10-17(11-13-18)15(20)8-9-19(25(2,22)23)14-6-4-5-7-14/h14H,3-13H2,1-2H3
InChIKeyMPUVQNNYDPXSFT-UHFFFAOYSA-N
MW375.49 g/mol
LogP0.88
Rot. Bonds6

About ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate

ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate (PubChem CID 113137250) has the molecular formula C16H29N3O5S and a molecular weight of 375.49 g/mol. Its IUPAC name is ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
PubChem CID113137250
Molecular FormulaC16H29N3O5S
Molecular Weight375.49 g/mol
Exact Mass375.18
IUPAC Nameethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCN(C2CCCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H29N3O5S/c1-3-24-16(21)18-12-10-17(11-13-18)15(20)8-9-19(25(2,22)23)14-6-4-5-7-14/h14H,3-13H2,1-2H3
InChIKeyMPUVQNNYDPXSFT-UHFFFAOYSA-N
XLogP0.88
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[N-cyclohexyl-N-(methylsulfonyl)glycyl]-1-piperazinecarboxylate
CID 1090900
Ethyl 4-[methyl(methylsulfonyl)amino]piperidine-1-carboxylate
CID 110868287
Ethyl 4-[acetyl-[2-(methanesulfonamido)ethyl]amino]piperidine-1-carboxylate
CID 113056403
Ethyl 4-[2-acetamidoethyl(methylsulfonyl)amino]piperidine-1-carboxylate
CID 113067907
Ethyl 4-[methylsulfonyl-[2-(propanoylamino)ethyl]amino]piperidine-1-carboxylate
CID 113067908
Ethyl 4-[2-(butanoylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate
CID 113067909
Ethyl 4-[methylsulfonyl-[2-(pentanoylamino)ethyl]amino]piperidine-1-carboxylate
CID 113067912
Ethyl 4-[2-(2,2-dimethylpropanoylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate
CID 113067915
Ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate
CID 113116368
Ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate
CID 113135908
Ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoyl]piperazine-1-carboxylate
CID 113135909
Ethyl 4-[3-[methylsulfonyl(propan-2-yl)amino]propanoylamino]piperidine-1-carboxylate
CID 113136105

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate (CID 113137250) is ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCN(C2CCCC2)S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate?
The InChIKey is MPUVQNNYDPXSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O5S/c1-3-24-16(21)18-12-10-17(11-13-18)15(20)8-9-19(25(2,22)23)14-6-4-5-7-14/h14H,3-13H2,1-2H3.
What are the key properties of ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate has a molecular weight of 375.49 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[cyclopentyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 113137250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).