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

C21H32N4O3 — CID 89487855

IUPAC[1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESCOCc1cccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)n1
InChIInChI=1S/C21H32N4O3/c1-27-16-17-4-2-7-20(22-17)24-10-8-19(9-11-24)28-21(26)25-14-12-23(13-15-25)18-5-3-6-18/h2,4,7,18-19H,3,5-6,8-16H2,1H3
InChIKeyJXTYHDNAKDVXCQ-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.50
Rot. Bonds5

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

[1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (PubChem CID 89487855) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
PubChem CID89487855
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name[1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESCOCc1cccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)n1
InChIInChI=1S/C21H32N4O3/c1-27-16-17-4-2-7-20(22-17)24-10-8-19(9-11-24)28-21(26)25-14-12-23(13-15-25)18-5-3-6-18/h2,4,7,18-19H,3,5-6,8-16H2,1H3
InChIKeyJXTYHDNAKDVXCQ-UHFFFAOYSA-N
XLogP2.50
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate with MolForge

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Related Compounds

[1-[6-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71522477
[1-(6-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487516
[1-(6-Methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487854
[1-(6-Isocyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 122198058
[1-(6-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487801
[1-[6-(Methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487883
[1-[6-(Hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487917
1-[2-(6-Amino-2-pyridinyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 118740114
(2R)-4-(1-(6-(diethoxymethyl)-3-fluoropyridin-2-yl)azetidin-3-yl)-1,2-dimethylpiperazine
CID 118162414
[1-(6-Cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487706
[1-(6-Cyano-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487818
US10730850, Example 1.016
CID 146028282

Frequently Asked Questions

What is the IUPAC name of [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The IUPAC name of [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (CID 89487855) is [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.
What is the SMILES notation for [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The canonical SMILES for [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is COCc1cccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)n1.
What is the InChIKey of [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The InChIKey is JXTYHDNAKDVXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-27-16-17-4-2-7-20(22-17)24-10-8-19(9-11-24)28-21(26)25-14-12-23(13-15-25)18-5-3-6-18/h2,4,7,18-19H,3,5-6,8-16H2,1H3.
What are the key properties of [1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
[1-[6-(methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 2.50, 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-cyclobutylpiperazine-1-carboxylate is sourced from PubChem (CID 89487855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).