methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate

C16H29N3O3 — CID 83999600

IUPACmethyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NC2CCCCC2)CN(CC(N)=O)C1
InChIInChI=1S/C16H29N3O3/c1-22-16(21)8-12-7-14(10-19(9-12)11-15(17)20)18-13-5-3-2-4-6-13/h12-14,18H,2-11H2,1H3,(H2,17,20)
InChIKeyBFPVDQFJJLFHNU-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.65
Rot. Bonds6

About methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate

methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate (PubChem CID 83999600) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
PubChem CID83999600
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Namemethyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NC2CCCCC2)CN(CC(N)=O)C1
InChIInChI=1S/C16H29N3O3/c1-22-16(21)8-12-7-14(10-19(9-12)11-15(17)20)18-13-5-3-2-4-6-13/h12-14,18H,2-11H2,1H3,(H2,17,20)
InChIKeyBFPVDQFJJLFHNU-UHFFFAOYSA-N
XLogP0.65
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991990
2-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]acetamide
CID 83999592
methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate
CID 83991353
1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999596
methyl 2-[1-(cyanomethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991965
2-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]acetamide
CID 83991982
2-[1-(2-amino-2-oxoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetic acid
CID 112543553
methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate
CID 83999189
2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83990081
methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
CID 83999544
ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate
CID 83991501
ethyl 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetate
CID 83991946

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate (CID 83999600) is methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate is COC(=O)CC1CC(NC2CCCCC2)CN(CC(N)=O)C1.
What is the InChIKey of methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate?
The InChIKey is BFPVDQFJJLFHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-22-16(21)8-12-7-14(10-19(9-12)11-15(17)20)18-13-5-3-2-4-6-13/h12-14,18H,2-11H2,1H3,(H2,17,20).
What are the key properties of methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate?
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate has a molecular weight of 311.43 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83999600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).