ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate

C22H28N2O3 — CID 23553352

IUPACethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOc2ccc(Cc3cccnc3)cc2)CC1
InChIInChI=1S/C22H28N2O3/c1-2-26-22(25)20-9-12-24(13-10-20)14-15-27-21-7-5-18(6-8-21)16-19-4-3-11-23-17-19/h3-8,11,17,20H,2,9-10,12-16H2,1H3
InChIKeyKGMWHOGXSWDNAD-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.33
Rot. Bonds8

About ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate

ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate (PubChem CID 23553352) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate
PubChem CID23553352
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Nameethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOc2ccc(Cc3cccnc3)cc2)CC1
InChIInChI=1S/C22H28N2O3/c1-2-26-22(25)20-9-12-24(13-10-20)14-15-27-21-7-5-18(6-8-21)16-19-4-3-11-23-17-19/h3-8,11,17,20H,2,9-10,12-16H2,1H3
InChIKeyKGMWHOGXSWDNAD-UHFFFAOYSA-N
XLogP3.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate
CID 69342245
ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
CID 6457402
ethyl 1-[3-(4-propan-2-yloxyphenoxy)propyl]piperidine-4-carboxylate
CID 6461813
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate
CID 3148499
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid
CID 23724214
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide
CID 43576087
ethyl 1-[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]piperidine-4-carboxylate
CID 54837905
ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate
CID 66927854

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate (CID 23553352) is ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCOc2ccc(Cc3cccnc3)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate?
The InChIKey is KGMWHOGXSWDNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-26-22(25)20-9-12-24(13-10-20)14-15-27-21-7-5-18(6-8-21)16-19-4-3-11-23-17-19/h3-8,11,17,20H,2,9-10,12-16H2,1H3.
What are the key properties of ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate?
ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 23553352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).