tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate

C18H34N2O4 — CID 75458656

IUPACtert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate
SMILESCCCCC(NC1CCN(CC(=O)OC)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O4/c1-6-7-8-15(17(22)24-18(2,3)4)19-14-9-11-20(12-10-14)13-16(21)23-5/h14-15,19H,6-13H2,1-5H3
InChIKeyVPDIUXNYKNVAPJ-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.11
Rot. Bonds8

About tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate

tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate (PubChem CID 75458656) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate.

Molecular Properties

Compound Nametert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate
PubChem CID75458656
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Nametert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate
SMILESCCCCC(NC1CCN(CC(=O)OC)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O4/c1-6-7-8-15(17(22)24-18(2,3)4)19-14-9-11-20(12-10-14)13-16(21)23-5/h14-15,19H,6-13H2,1-5H3
InChIKeyVPDIUXNYKNVAPJ-UHFFFAOYSA-N
XLogP2.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate with MolForge

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Related Compounds

tert-butyl 2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]pentanoate
CID 75458101
tert-butyl (2S)-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]pentanoate
CID 97308630
methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate
CID 115300552
ditert-butyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 157129145
methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate
CID 95201002
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
tert-butyl (2S)-2-[(1-benzylpiperidin-4-yl)amino]-3-phenylpropanoate
CID 14997630
tert-butyl 4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]piperidine-1-carboxylate
CID 11325452
methyl 2-(cyclopent-3-en-1-ylamino)hexanoate
CID 103868518
tert-butyl 2-[4-(2-hydroxydodecyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 11802838
2-[4-(heptan-3-ylamino)piperidin-1-yl]-N-methylacetamide
CID 63944334

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate?
The IUPAC name of tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate (CID 75458656) is tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate.
What is the SMILES notation for tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate?
The canonical SMILES for tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate is CCCCC(NC1CCN(CC(=O)OC)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate?
The InChIKey is VPDIUXNYKNVAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-6-7-8-15(17(22)24-18(2,3)4)19-14-9-11-20(12-10-14)13-16(21)23-5/h14-15,19H,6-13H2,1-5H3.
What are the key properties of tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate?
tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate has a molecular weight of 342.48 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate is sourced from PubChem (CID 75458656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).