ethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate

C19H29N3O2 — CID 78318145

IUPACethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3cccnc3C)CC2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-24-19(23)22-13-8-17(9-14-22)21-11-6-16(7-12-21)18-5-4-10-20-15(18)2/h4-5,10,16-17H,3,6-9,11-14H2,1-2H3
InChIKeyHBAOLOMIRORCLT-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.19
Rot. Bonds3

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

ethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 78318145) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is ethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID78318145
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Nameethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3cccnc3C)CC2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-24-19(23)22-13-8-17(9-14-22)21-11-6-16(7-12-21)18-5-4-10-20-15(18)2/h4-5,10,16-17H,3,6-9,11-14H2,1-2H3
InChIKeyHBAOLOMIRORCLT-UHFFFAOYSA-N
XLogP3.19
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate (CID 78318145) is ethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(c3cccnc3C)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is HBAOLOMIRORCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-24-19(23)22-13-8-17(9-14-22)21-11-6-16(7-12-21)18-5-4-10-20-15(18)2/h4-5,10,16-17H,3,6-9,11-14H2,1-2H3.
What are the key properties of ethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-methyl-3-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 78318145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).