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

C50H92N6O4 — CID 158084954

IUPAC1-[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
SMILESCC(C)C(=O)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)NC1CC(Oc2cc(C(C)C)ccn2)C1
InChIInChI=1S/C18H34N2O2.C17H34N2O.C15H24N2O/c1-13(2)17(21)12-20-8-6-15(7-9-20)22-16-10-14(11-16)19-18(3,4)5;1-13(2)12-19-8-6-15(7-9-19)20-16-10-14(11-16)18-17(3,4)5;1-10(2)12-5-6-16-15(7-12)18-14-8-13(9-14)17-11(3)4/h13-16,19H,6-12H2,1-5H3;13-16,18H,6-12H2,1-5H3;5-7,10-11,13-14,17H,8-9H2,1-4H3
InChIKeyFNKCCMFRJADNRX-UHFFFAOYSA-N
MW841.32 g/mol
LogP8.77
Rot. Bonds16

About 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

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 (PubChem CID 158084954) has the molecular formula C50H92N6O4 and a molecular weight of 841.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158084954
Molecular FormulaC50H92N6O4
Molecular Weight841.32 g/mol
Exact Mass840.72
IUPAC Name1-[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
SMILESCC(C)C(=O)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)NC1CC(Oc2cc(C(C)C)ccn2)C1
InChIInChI=1S/C18H34N2O2.C17H34N2O.C15H24N2O/c1-13(2)17(21)12-20-8-6-15(7-9-20)22-16-10-14(11-16)19-18(3,4)5;1-13(2)12-19-8-6-15(7-9-19)20-16-10-14(11-16)18-17(3,4)5;1-10(2)12-5-6-16-15(7-12)18-14-8-13(9-14)17-11(3)4/h13-16,19H,6-12H2,1-5H3;13-16,18H,6-12H2,1-5H3;5-7,10-11,13-14,17H,8-9H2,1-4H3
InChIKeyFNKCCMFRJADNRX-UHFFFAOYSA-N
XLogP8.77
TPSA100.22 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.32
LogP ≤ 58.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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;bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;methane;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
CID 159026871
N-ethyl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
CID 155215060
1-ethyl-4-[[1-[[3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazine
CID 156558141
2-N-[3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutyl]-5-N-[3-[1-[5-[[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutyl]amino]-2,2,5-trimethylhexyl]piperidin-4-yl]oxycyclobutyl]-2,5-dimethylhexane-2,5-diamine
CID 146339949
3-[(4-ethyl-2-pyridinyl)oxy]-N-propan-2-ylcyclobutan-1-amine
CID 135175004
N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine
CID 126654370
S-methyl 3-[2-[3-(propan-2-ylamino)cyclobutyl]oxy-4-pyridinyl]propanethioate
CID 167293098
tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 124636303
N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine
CID 146179275
1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
CID 118929980
tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate
CID 168901562

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(=O)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)NC1CC(Oc2cc(C(C)C)ccn2)C1.
What is the InChIKey of 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?
The InChIKey is FNKCCMFRJADNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2.C17H34N2O.C15H24N2O/c1-13(2)17(21)12-20-8-6-15(7-9-20)22-16-10-14(11-16)19-18(3,4)5;1-13(2)12-19-8-6-15(7-9-19)20-16-10-14(11-16)18-17(3,4)5;1-10(2)12-5-6-16-15(7-12)18-14-8-13(9-14)17-11(3)4/h13-16,19H,6-12H2,1-5H3;13-16,18H,6-12H2,1-5H3;5-7,10-11,13-14,17H,8-9H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 841.32 g/mol, XLogP of 8.77, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158084954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).