3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol

C24H34ClN3O5 — CID 67399652

IUPAC3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol
SMILESCCOc1cc(CN2CCC(Nc3ccc(OCC(O)CO)cn3)CC2)cc(OCC)c1Cl
InChIInChI=1S/C24H34ClN3O5/c1-3-31-21-11-17(12-22(24(21)25)32-4-2)14-28-9-7-18(8-10-28)27-23-6-5-20(13-26-23)33-16-19(30)15-29/h5-6,11-13,18-19,29-30H,3-4,7-10,14-16H2,1-2H3,(H,26,27)
InChIKeyKQYVMNNOTDDBLW-UHFFFAOYSA-N
MW480.01 g/mol
LogP3.34
Rot. Bonds12

About 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol

3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol (PubChem CID 67399652) has the molecular formula C24H34ClN3O5 and a molecular weight of 480.01 g/mol. Its IUPAC name is 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol
PubChem CID67399652
Molecular FormulaC24H34ClN3O5
Molecular Weight480.01 g/mol
Exact Mass479.22
IUPAC Name3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol
SMILESCCOc1cc(CN2CCC(Nc3ccc(OCC(O)CO)cn3)CC2)cc(OCC)c1Cl
InChIInChI=1S/C24H34ClN3O5/c1-3-31-21-11-17(12-22(24(21)25)32-4-2)14-28-9-7-18(8-10-28)27-23-6-5-20(13-26-23)33-16-19(30)15-29/h5-6,11-13,18-19,29-30H,3-4,7-10,14-16H2,1-2H3,(H,26,27)
InChIKeyKQYVMNNOTDDBLW-UHFFFAOYSA-N
XLogP3.34
TPSA96.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol with MolForge

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Related Compounds

3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol
CID 67401138
3-[[2-[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]propane-1,2-diol
CID 66912188
6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 24855392
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine
CID 24826627
methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate
CID 24855171
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine
CID 67198237
2-chloro-N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-5-fluoropyrimidin-4-amine
CID 24851796
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-methylsulfonylpyridin-2-amine
CID 67400612
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401024
8-chloro-N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]quinolin-2-amine
CID 67400120
5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
CID 24855078
methyl 5-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67401247

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol?
The IUPAC name of 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol (CID 67399652) is 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol.
What is the SMILES notation for 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol?
The canonical SMILES for 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol is CCOc1cc(CN2CCC(Nc3ccc(OCC(O)CO)cn3)CC2)cc(OCC)c1Cl.
What is the InChIKey of 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol?
The InChIKey is KQYVMNNOTDDBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O5/c1-3-31-21-11-17(12-22(24(21)25)32-4-2)14-28-9-7-18(8-10-28)27-23-6-5-20(13-26-23)33-16-19(30)15-29/h5-6,11-13,18-19,29-30H,3-4,7-10,14-16H2,1-2H3,(H,26,27).
What are the key properties of 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol?
3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol has a molecular weight of 480.01 g/mol, XLogP of 3.34, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol is sourced from PubChem (CID 67399652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).