ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate

C16H24N4O5S — CID 4838967

IUPACethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C16H24N4O5S/c1-2-25-16(21)19-7-5-18(6-8-19)15-4-3-14(13-17-15)26(22,23)20-9-11-24-12-10-20/h3-4,13H,2,5-12H2,1H3
InChIKeyOOUXINKIVOPUHZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP0.38
Rot. Bonds4

About ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate

ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate (PubChem CID 4838967) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate
PubChem CID4838967
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Nameethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C16H24N4O5S/c1-2-25-16(21)19-7-5-18(6-8-19)15-4-3-14(13-17-15)26(22,23)20-9-11-24-12-10-20/h3-4,13H,2,5-12H2,1H3
InChIKeyOOUXINKIVOPUHZ-UHFFFAOYSA-N
XLogP0.38
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate (CID 4838967) is ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1.
What is the InChIKey of ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate?
The InChIKey is OOUXINKIVOPUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-2-25-16(21)19-7-5-18(6-8-19)15-4-3-14(13-17-15)26(22,23)20-9-11-24-12-10-20/h3-4,13H,2,5-12H2,1H3.
What are the key properties of ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate?
ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate has a molecular weight of 384.46 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 4838967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).