ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate

C21H27N3O3 — CID 26398277

IUPACethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2cccnc2Oc2ccccc2C)CC1
InChIInChI=1S/C21H27N3O3/c1-3-26-21(25)24-13-10-18(11-14-24)23-15-17-8-6-12-22-20(17)27-19-9-5-4-7-16(19)2/h4-9,12,18,23H,3,10-11,13-15H2,1-2H3
InChIKeyFPWNXJZFLGCEST-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.89
Rot. Bonds6

About ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate

ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate (PubChem CID 26398277) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate
PubChem CID26398277
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Nameethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2cccnc2Oc2ccccc2C)CC1
InChIInChI=1S/C21H27N3O3/c1-3-26-21(25)24-13-10-18(11-14-24)23-15-17-8-6-12-22-20(17)27-19-9-5-4-7-16(19)2/h4-9,12,18,23H,3,10-11,13-15H2,1-2H3
InChIKeyFPWNXJZFLGCEST-UHFFFAOYSA-N
XLogP3.89
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ro 24-0238
CID 6439060
N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11221120
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
nicotinaldehyde O-4-(decyloxy)phenylcarbamoyl oxime
CID 20872720
nicotinaldehyde O-4-(dodecyloxy)phenylcarbamoyl oxime
CID 20872721
nicotinaldehyde O-4-(nonyloxy)phenylcarbamoyl oxime
CID 20872725
nicotinaldehyde O-4-(octyloxy)phenylcarbamoyl oxime
CID 20872726
nicotinaldehyde O-4-(undecyloxy)phenylcarbamoyl oxime
CID 20872732
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 168286940
2-(2-methylphenoxy)-N-(3-pyridinylmethyl)propanamide
CID 2977532

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate (CID 26398277) is ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCc2cccnc2Oc2ccccc2C)CC1.
What is the InChIKey of ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate?
The InChIKey is FPWNXJZFLGCEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-26-21(25)24-13-10-18(11-14-24)23-15-17-8-6-12-22-20(17)27-19-9-5-4-7-16(19)2/h4-9,12,18,23H,3,10-11,13-15H2,1-2H3.
What are the key properties of ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate?
ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate has a molecular weight of 369.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 26398277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).