1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine

C25H42N4O — CID 156558141

IUPAC1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine
SMILESCCN1CCN(CC2CCN(CC3CC(Oc4cc(C(C)C)ccn4)C3)CC2)CC1
InChIInChI=1S/C25H42N4O/c1-4-27-11-13-29(14-12-27)18-21-6-9-28(10-7-21)19-22-15-24(16-22)30-25-17-23(20(2)3)5-8-26-25/h5,8,17,20-22,24H,4,6-7,9-16,18-19H2,1-3H3
InChIKeyDNCZNCNZIWGMPI-UHFFFAOYSA-N
MW414.64 g/mol
LogP3.71
Rot. Bonds8

About 1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine

1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine (PubChem CID 156558141) has the molecular formula C25H42N4O and a molecular weight of 414.64 g/mol. Its IUPAC name is 1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine
PubChem CID156558141
Molecular FormulaC25H42N4O
Molecular Weight414.64 g/mol
Exact Mass414.34
IUPAC Name1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine
SMILESCCN1CCN(CC2CCN(CC3CC(Oc4cc(C(C)C)ccn4)C3)CC2)CC1
InChIInChI=1S/C25H42N4O/c1-4-27-11-13-29(14-12-27)18-21-6-9-28(10-7-21)19-22-15-24(16-22)30-25-17-23(20(2)3)5-8-26-25/h5,8,17,20-22,24H,4,6-7,9-16,18-19H2,1-3H3
InChIKeyDNCZNCNZIWGMPI-UHFFFAOYSA-N
XLogP3.71
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.64
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine (CID 156558141) is 1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine is CCN1CCN(CC2CCN(CC3CC(Oc4cc(C(C)C)ccn4)C3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine?
The InChIKey is DNCZNCNZIWGMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O/c1-4-27-11-13-29(14-12-27)18-21-6-9-28(10-7-21)19-22-15-24(16-22)30-25-17-23(20(2)3)5-8-26-25/h5,8,17,20-22,24H,4,6-7,9-16,18-19H2,1-3H3.
What are the key properties of 1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine?
1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine has a molecular weight of 414.64 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 156558141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).