tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate

C17H30N2O3 — CID 172898653

IUPACtert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)12-15(20)18-14-6-4-5-7-14/h13-14H,4-12H2,1-3H3,(H,18,20)
InChIKeyHLPWSWHOABOMRE-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.08
Rot. Bonds3

About tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 172898653) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID172898653
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)12-15(20)18-14-6-4-5-7-14/h13-14H,4-12H2,1-3H3,(H,18,20)
InChIKeyHLPWSWHOABOMRE-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid
CID 67802338
tert-butyl 4-[[2-(thietan-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 126824092
tert-butyl (3R)-3-[[2-(4-cyclononylcyclohexyl)acetyl]amino]pyrrolidine-1-carboxylate
CID 166956086
tert-butyl N-[2-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916814
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-1-carboxylate
CID 47451409
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
CID 53302291
methylcyclohexane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 142873744
tert-butyl 4-(3-hydroxy-2-oxopropyl)piperidine-1-carboxylate
CID 90046892
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
CID 71940585

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate (CID 172898653) is tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(=O)NC2CCCC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is HLPWSWHOABOMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)12-15(20)18-14-6-4-5-7-14/h13-14H,4-12H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 172898653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).