ethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate

C19H29N3O3 — CID 78318994

IUPACethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3cccc(OC)n3)CC2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-25-19(23)22-13-9-16(10-14-22)21-11-7-15(8-12-21)17-5-4-6-18(20-17)24-2/h4-6,15-16H,3,7-14H2,1-2H3
InChIKeyKKIHIERAFNWZFX-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.89
Rot. Bonds4

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

ethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 78318994) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID78318994
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3cccc(OC)n3)CC2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-25-19(23)22-13-9-16(10-14-22)21-11-7-15(8-12-21)17-5-4-6-18(20-17)24-2/h4-6,15-16H,3,7-14H2,1-2H3
InChIKeyKKIHIERAFNWZFX-UHFFFAOYSA-N
XLogP2.89
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate (CID 78318994) is ethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(c3cccc(OC)n3)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is KKIHIERAFNWZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-25-19(23)22-13-9-16(10-14-22)21-11-7-15(8-12-21)17-5-4-6-18(20-17)24-2/h4-6,15-16H,3,7-14H2,1-2H3.
What are the key properties of ethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 78318994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).