tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate

C17H32N2O2 — CID 83998176

IUPACtert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCC(NCC2CCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)13-19-10-6-9-15(12-19)18-11-14-7-4-5-8-14/h14-15,18H,4-13H2,1-3H3
InChIKeyQLWYBZKZXRVSAA-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds5

About tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate

tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate (PubChem CID 83998176) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
PubChem CID83998176
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCC(NCC2CCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)13-19-10-6-9-15(12-19)18-11-14-7-4-5-8-14/h14-15,18H,4-13H2,1-3H3
InChIKeyQLWYBZKZXRVSAA-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate
CID 83996792
methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998161
tert-butyl 2-[3-(methylamino)piperidin-1-yl]acetate
CID 55138302
tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
CID 83999559
tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate
CID 83998177
tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate
CID 63241433
tert-butyl 4-[[(1-ethylpiperidin-3-yl)amino]methyl]piperidine-1-carboxylate
CID 103730187
tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate
CID 60689789
tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate
CID 115300552
2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid
CID 121230383
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate (CID 83998176) is tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCCC(NCC2CCCC2)C1.
What is the InChIKey of tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate?
The InChIKey is QLWYBZKZXRVSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)13-19-10-6-9-15(12-19)18-11-14-7-4-5-8-14/h14-15,18H,4-13H2,1-3H3.
What are the key properties of tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate?
tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 83998176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).