methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate

C27H28Cl2N2O3 — CID 146243608

IUPACmethyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(Cc2cc(OCc3ccccc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1
InChIInChI=1S/C27H28Cl2N2O3/c1-33-27(32)13-19-7-9-31(10-8-19)17-21-11-25(22-14-23(28)16-24(29)15-22)30-26(12-21)34-18-20-5-3-2-4-6-20/h2-6,11-12,14-16,19H,7-10,13,17-18H2,1H3
InChIKeyUQTMFNDUKHMFSE-UHFFFAOYSA-N
MW499.44 g/mol
LogP6.41
Rot. Bonds8

About methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate

methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate (PubChem CID 146243608) has the molecular formula C27H28Cl2N2O3 and a molecular weight of 499.44 g/mol. Its IUPAC name is methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate
PubChem CID146243608
Molecular FormulaC27H28Cl2N2O3
Molecular Weight499.44 g/mol
Exact Mass498.15
IUPAC Namemethyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(Cc2cc(OCc3ccccc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1
InChIInChI=1S/C27H28Cl2N2O3/c1-33-27(32)13-19-7-9-31(10-8-19)17-21-11-25(22-14-23(28)16-24(29)15-22)30-26(12-21)34-18-20-5-3-2-4-6-20/h2-6,11-12,14-16,19H,7-10,13,17-18H2,1H3
InChIKeyUQTMFNDUKHMFSE-UHFFFAOYSA-N
XLogP6.41
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.44
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate with MolForge

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Related Compounds

methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetate
CID 146241612
methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-[(1R,5S)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetate;dihydrochloride
CID 171498480
methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-(2-piperazin-1-ylpyrimidin-5-yl)oxy-4-pyridinyl]methyl]piperidin-4-yl]acetate
CID 146241611
methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1H-pyrazol-5-ylmethylamino)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetate
CID 171498379
methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetate
CID 146241541
methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-[4-(4-hydroxybutan-2-yl)piperazin-1-yl]pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetate
CID 146241839
methyl 2-[1-[[2-[[6-(1,4-diazepan-1-yl)-3-pyridinyl]oxy]-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]acetate
CID 146241648
methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetate
CID 171498927
methyl 2-[1-[[2-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]acetate
CID 171498636
methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-[2-imidazol-1-ylethyl(methyl)amino]pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetate
CID 171498360
tert-butyl (2S)-4-[5-[[6-(3,5-dichlorophenyl)-4-[[4-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]pyrimidin-2-yl]-2-methylpiperazine-1-carboxylate
CID 153361732

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate (CID 146243608) is methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate is COC(=O)CC1CCN(Cc2cc(OCc3ccccc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1.
What is the InChIKey of methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate?
The InChIKey is UQTMFNDUKHMFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N2O3/c1-33-27(32)13-19-7-9-31(10-8-19)17-21-11-25(22-14-23(28)16-24(29)15-22)30-26(12-21)34-18-20-5-3-2-4-6-20/h2-6,11-12,14-16,19H,7-10,13,17-18H2,1H3.
What are the key properties of methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate?
methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate has a molecular weight of 499.44 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[2-(3,5-dichlorophenyl)-6-phenylmethoxy-4-pyridinyl]methyl]piperidin-4-yl]acetate is sourced from PubChem (CID 146243608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).