ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate

C19H25N3O3 — CID 4209149

IUPACethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cccn2-c2ccc(OC)nc2)CC1
InChIInChI=1S/C19H25N3O3/c1-3-25-19(23)15-8-11-21(12-9-15)14-17-5-4-10-22(17)16-6-7-18(24-2)20-13-16/h4-7,10,13,15H,3,8-9,11-12,14H2,1-2H3
InChIKeyYHDZPUSEJXSUPD-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.66
Rot. Bonds6

About ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate (PubChem CID 4209149) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate
PubChem CID4209149
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nameethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cccn2-c2ccc(OC)nc2)CC1
InChIInChI=1S/C19H25N3O3/c1-3-25-19(23)15-8-11-21(12-9-15)14-17-5-4-10-22(17)16-6-7-18(24-2)20-13-16/h4-7,10,13,15H,3,8-9,11-12,14H2,1-2H3
InChIKeyYHDZPUSEJXSUPD-UHFFFAOYSA-N
XLogP2.66
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate (CID 4209149) is ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cccn2-c2ccc(OC)nc2)CC1.
What is the InChIKey of ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate?
The InChIKey is YHDZPUSEJXSUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-25-19(23)15-8-11-21(12-9-15)14-17-5-4-10-22(17)16-6-7-18(24-2)20-13-16/h4-7,10,13,15H,3,8-9,11-12,14H2,1-2H3.
What are the key properties of ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 4209149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).