propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

C22H36N4O5S — CID 46884857

IUPACpropan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(COc2ccc(N3CCN(S(=O)(=O)C(C)C)CC3)nc2)CC1
InChIInChI=1S/C22H36N4O5S/c1-17(2)31-22(27)25-9-7-19(8-10-25)16-30-20-5-6-21(23-15-20)24-11-13-26(14-12-24)32(28,29)18(3)4/h5-6,15,17-19H,7-14,16H2,1-4H3
InChIKeyWINSVWQOADQKMS-UHFFFAOYSA-N
MW468.62 g/mol
LogP2.58
Rot. Bonds7

About propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 46884857) has the molecular formula C22H36N4O5S and a molecular weight of 468.62 g/mol. Its IUPAC name is propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
PubChem CID46884857
Molecular FormulaC22H36N4O5S
Molecular Weight468.62 g/mol
Exact Mass468.24
IUPAC Namepropan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(COc2ccc(N3CCN(S(=O)(=O)C(C)C)CC3)nc2)CC1
InChIInChI=1S/C22H36N4O5S/c1-17(2)31-22(27)25-9-7-19(8-10-25)16-30-20-5-6-21(23-15-20)24-11-13-26(14-12-24)32(28,29)18(3)4/h5-6,15,17-19H,7-14,16H2,1-4H3
InChIKeyWINSVWQOADQKMS-UHFFFAOYSA-N
XLogP2.58
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (CID 46884857) is propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(COc2ccc(N3CCN(S(=O)(=O)C(C)C)CC3)nc2)CC1.
What is the InChIKey of propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is WINSVWQOADQKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O5S/c1-17(2)31-22(27)25-9-7-19(8-10-25)16-30-20-5-6-21(23-15-20)24-11-13-26(14-12-24)32(28,29)18(3)4/h5-6,15,17-19H,7-14,16H2,1-4H3.
What are the key properties of propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 468.62 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 46884857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).