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

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

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Launch Full Analysis

Related Compounds

4-methyl-2-[3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxycyclobutyl]oxypyridine
CID 156719597
N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
CID 159328945
4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine
CID 170180705
3-[(4-ethoxy-2-pyridinyl)oxy]cyclobutan-1-amine
CID 134579469
1-[4-[3-(tert-butylamino)cyclobutyl]oxypiperidin-1-yl]-3-methylbutan-2-one;N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
CID 158084954
3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 70654742
N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine
CID 113254245
[4-[(1-ethylpiperidin-4-yl)-methylamino]-2-pyridinyl]methanol
CID 55003019
7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole
CID 170936025
5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 143718986
3-[[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]methyl]-4-propan-2-ylpyridine-2-carboxylic acid
CID 69349043
9-iodo-4-[[3-[[4-(4-methylpiperidin-1-yl)-2-pyridinyl]oxy]cyclobutyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 170180732

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).