tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid

C19H34N2O6 — CID 67802338

IUPACtert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)NC2CCCCC2)CC1.O=C(O)O
InChIInChI=1S/C18H32N2O3.CH2O3/c1-18(2,3)23-17(22)20-11-9-14(10-12-20)13-16(21)19-15-7-5-4-6-8-15;2-1(3)4/h14-15H,4-13H2,1-3H3,(H,19,21);(H2,2,3,4)
InChIKeyWBGYZMFTDMTVNM-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.69
Rot. Bonds3

About tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid

tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid (PubChem CID 67802338) has the molecular formula C19H34N2O6 and a molecular weight of 386.49 g/mol. Its IUPAC name is tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid.

Molecular Properties

Compound Nametert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid
PubChem CID67802338
Molecular FormulaC19H34N2O6
Molecular Weight386.49 g/mol
Exact Mass386.24
IUPAC Nametert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)NC2CCCCC2)CC1.O=C(O)O
InChIInChI=1S/C18H32N2O3.CH2O3/c1-18(2,3)23-17(22)20-11-9-14(10-12-20)13-16(21)19-15-7-5-4-6-8-15;2-1(3)4/h14-15H,4-13H2,1-3H3,(H,19,21);(H2,2,3,4)
InChIKeyWBGYZMFTDMTVNM-UHFFFAOYSA-N
XLogP3.69
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 172898653
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
methylcyclohexane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 142873744
tert-butyl N-[2-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916814
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
CID 53302291
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-1-carboxylate
CID 47451409
tert-butyl 3-[[[amino-(cycloheptylamino)methylidene]amino]methyl]pyrrolidine-1-carboxylate
CID 110032342
tert-butyl 4-(3-hydroxy-2-oxopropyl)piperidine-1-carboxylate
CID 90046892
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid?
The IUPAC name of tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid (CID 67802338) is tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid.
What is the SMILES notation for tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid?
The canonical SMILES for tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid is CC(C)(C)OC(=O)N1CCC(CC(=O)NC2CCCCC2)CC1.O=C(O)O.
What is the InChIKey of tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid?
The InChIKey is WBGYZMFTDMTVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3.CH2O3/c1-18(2,3)23-17(22)20-11-9-14(10-12-20)13-16(21)19-15-7-5-4-6-8-15;2-1(3)4/h14-15H,4-13H2,1-3H3,(H,19,21);(H2,2,3,4).
What are the key properties of tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid?
tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid has a molecular weight of 386.49 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid is sourced from PubChem (CID 67802338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).