ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate

C17H26N4O4S — CID 1214448

IUPACethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H26N4O4S/c1-2-25-17(22)20-12-10-19(11-13-20)15-6-7-18-14-16(15)26(23,24)21-8-4-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3
InChIKeyFVUBCWZZHCIGMD-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.53
Rot. Bonds4

About ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate

ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate (PubChem CID 1214448) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate
PubChem CID1214448
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Nameethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H26N4O4S/c1-2-25-17(22)20-12-10-19(11-13-20)15-6-7-18-14-16(15)26(23,24)21-8-4-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3
InChIKeyFVUBCWZZHCIGMD-UHFFFAOYSA-N
XLogP1.53
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethoxycarbonylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 107877070
ethyl 4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazine-1-carboxylate
CID 4796538
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate
CID 61108715
1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine
CID 102538674
2-methylpropyl 4-(3-chloro-4-pyridinyl)-1,4-diazepane-1-carboxylate
CID 133447737
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
(E)-1-(4-bromophenyl)-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine
CID 6877637
ethyl 4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 110799188
ethyl 4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]piperazine-1-carboxylate
CID 17458579
ethyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazine-1-carboxylate
CID 55345023
benzyl 4-isoquinolin-5-ylsulfonyl-1,4-diazepane-1-carboxylate
CID 66554217

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate (CID 1214448) is ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate?
The InChIKey is FVUBCWZZHCIGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-2-25-17(22)20-12-10-19(11-13-20)15-6-7-18-14-16(15)26(23,24)21-8-4-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3.
What are the key properties of ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate?
ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate has a molecular weight of 382.49 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 1214448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).