ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate

C28H34N4O4 — CID 142526883

IUPACethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cccc(COc3ccc(-c4ccnn4C4CCCCO4)nc3)c2)CC1
InChIInChI=1S/C28H34N4O4/c1-2-34-28(33)22-12-15-31(16-13-22)23-7-5-6-21(18-23)20-36-24-9-10-25(29-19-24)26-11-14-30-32(26)27-8-3-4-17-35-27/h5-7,9-11,14,18-19,22,27H,2-4,8,12-13,15-17,20H2,1H3
InChIKeyQXCVLNQHRWENTC-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.00
Rot. Bonds8

About ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate

ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate (PubChem CID 142526883) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate
PubChem CID142526883
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Nameethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cccc(COc3ccc(-c4ccnn4C4CCCCO4)nc3)c2)CC1
InChIInChI=1S/C28H34N4O4/c1-2-34-28(33)22-12-15-31(16-13-22)23-7-5-6-21(18-23)20-36-24-9-10-25(29-19-24)26-11-14-30-32(26)27-8-3-4-17-35-27/h5-7,9-11,14,18-19,22,27H,2-4,8,12-13,15-17,20H2,1H3
InChIKeyQXCVLNQHRWENTC-UHFFFAOYSA-N
XLogP5.00
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate with MolForge

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Related Compounds

methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate
CID 142527037
5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360847
2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol
CID 142526925
1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone
CID 142526656
4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde
CID 142526728
tert-butyl 2-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetate
CID 142526850
4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine
CID 142526707
N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide
CID 137364312
3-amino-1-[(3R)-3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]piperidin-1-yl]propan-1-one
CID 130360188
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide
CID 142526681
5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 155658227

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate (CID 142526883) is ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cccc(COc3ccc(-c4ccnn4C4CCCCO4)nc3)c2)CC1.
What is the InChIKey of ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate?
The InChIKey is QXCVLNQHRWENTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-2-34-28(33)22-12-15-31(16-13-22)23-7-5-6-21(18-23)20-36-24-9-10-25(29-19-24)26-11-14-30-32(26)27-8-3-4-17-35-27/h5-7,9-11,14,18-19,22,27H,2-4,8,12-13,15-17,20H2,1H3.
What are the key properties of ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate?
ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate has a molecular weight of 490.60 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate is sourced from PubChem (CID 142526883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).