ethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate

C16H27N3O3 — CID 25382604

IUPACethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C16H27N3O3/c1-4-22-15(20)16(7-10-21-3)5-8-19(9-6-16)13-14-11-17-18(2)12-14/h11-12H,4-10,13H2,1-3H3
InChIKeyRCBKGVPIKOVDKW-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.60
Rot. Bonds7

About ethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate

ethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate (PubChem CID 25382604) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate
PubChem CID25382604
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nameethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C16H27N3O3/c1-4-22-15(20)16(7-10-21-3)5-8-19(9-6-16)13-14-11-17-18(2)12-14/h11-12H,4-10,13H2,1-3H3
InChIKeyRCBKGVPIKOVDKW-UHFFFAOYSA-N
XLogP1.60
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate (CID 25382604) is ethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1(CCOC)CCN(Cc2cnn(C)c2)CC1.
What is the InChIKey of ethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate?
The InChIKey is RCBKGVPIKOVDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-4-22-15(20)16(7-10-21-3)5-8-19(9-6-16)13-14-11-17-18(2)12-14/h11-12H,4-10,13H2,1-3H3.
What are the key properties of ethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate?
ethyl 4-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 1.60, 7 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-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 25382604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).