[1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C20H32N4O3 — CID 89487883

IUPAC[1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOCc1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1
InChIInChI=1S/C20H32N4O3/c1-16(2)22-11-13-24(14-12-22)20(25)27-18-7-9-23(10-8-18)19-6-4-5-17(21-19)15-26-3/h4-6,16,18H,7-15H2,1-3H3
InChIKeyANZLPACHPLDKEU-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.36
Rot. Bonds5

About [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487883) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487883
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name[1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOCc1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1
InChIInChI=1S/C20H32N4O3/c1-16(2)22-11-13-24(14-12-22)20(25)27-18-7-9-23(10-8-18)19-6-4-5-17(21-19)15-26-3/h4-6,16,18H,7-15H2,1-3H3
InChIKeyANZLPACHPLDKEU-UHFFFAOYSA-N
XLogP2.36
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487883) is [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is COCc1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1.
What is the InChIKey of [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is ANZLPACHPLDKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-16(2)22-11-13-24(14-12-22)20(25)27-18-7-9-23(10-8-18)19-6-4-5-17(21-19)15-26-3/h4-6,16,18H,7-15H2,1-3H3.
What are the key properties of [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).