ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate

C23H36N2O4 — CID 42518725

IUPACethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(C2CCN(c3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C23H36N2O4/c1-4-29-22(26)23(13-18-27-2)11-16-25(17-12-23)20-9-14-24(15-10-20)19-5-7-21(28-3)8-6-19/h5-8,20H,4,9-18H2,1-3H3
InChIKeyLNBSSQNEHXKRIP-UHFFFAOYSA-N
MW404.55 g/mol
LogP3.35
Rot. Bonds8

About ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate

ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate (PubChem CID 42518725) has the molecular formula C23H36N2O4 and a molecular weight of 404.55 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate
PubChem CID42518725
Molecular FormulaC23H36N2O4
Molecular Weight404.55 g/mol
Exact Mass404.27
IUPAC Nameethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(C2CCN(c3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C23H36N2O4/c1-4-29-22(26)23(13-18-27-2)11-16-25(17-12-23)20-9-14-24(15-10-20)19-5-7-21(28-3)8-6-19/h5-8,20H,4,9-18H2,1-3H3
InChIKeyLNBSSQNEHXKRIP-UHFFFAOYSA-N
XLogP3.35
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(oxan-4-yl)-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 42120534
ethyl 4-[(3R)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]piperazine-1-carboxylate
CID 29214380
(4S)-8-[1-(4-methoxyphenyl)piperidin-4-yl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97193596
ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate
CID 26333828
9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane
CID 45222559
ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate
CID 42567082
ethyl 3-(hydroxymethyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322203
ethyl 3-(iodomethyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322193
ethyl 3-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidine-3-carboxylate
CID 74778805
ethyl 4-[4-[4-(8-methoxyoctoxy)cyclohexyl]piperazin-1-yl]benzoate
CID 22492993
(1R,5S)-6-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)piperidin-4-yl]-3,6-diazabicyclo[3.2.2]nonane
CID 133117439
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate (CID 42518725) is ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1(CCOC)CCN(C2CCN(c3ccc(OC)cc3)CC2)CC1.
What is the InChIKey of ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate?
The InChIKey is LNBSSQNEHXKRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4/c1-4-29-22(26)23(13-18-27-2)11-16-25(17-12-23)20-9-14-24(15-10-20)19-5-7-21(28-3)8-6-19/h5-8,20H,4,9-18H2,1-3H3.
What are the key properties of ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate?
ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate has a molecular weight of 404.55 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 42518725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).