tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid

C26H42N6O7 — CID 68828048

IUPACtert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(N)CC1.CCOC(=O)C(NC(=O)NC1CCN(C(=O)O)CC1)c1ccccn1
InChIInChI=1S/C16H22N4O5.C10H20N2O2/c1-2-25-14(21)13(12-5-3-4-8-17-12)19-15(22)18-11-6-9-20(10-7-11)16(23)24;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h3-5,8,11,13H,2,6-7,9-10H2,1H3,(H,23,24)(H2,18,19,22);8H,4-7,11H2,1-3H3
InChIKeyLCJLFXDMNSRFPK-UHFFFAOYSA-N
MW550.66 g/mol
LogP2.47
Rot. Bonds5

About tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid

tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid (PubChem CID 68828048) has the molecular formula C26H42N6O7 and a molecular weight of 550.66 g/mol. Its IUPAC name is tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Nametert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid
PubChem CID68828048
Molecular FormulaC26H42N6O7
Molecular Weight550.66 g/mol
Exact Mass550.31
IUPAC Nametert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(N)CC1.CCOC(=O)C(NC(=O)NC1CCN(C(=O)O)CC1)c1ccccn1
InChIInChI=1S/C16H22N4O5.C10H20N2O2/c1-2-25-14(21)13(12-5-3-4-8-17-12)19-15(22)18-11-6-9-20(10-7-11)16(23)24;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h3-5,8,11,13H,2,6-7,9-10H2,1H3,(H,23,24)(H2,18,19,22);8H,4-7,11H2,1-3H3
InChIKeyLCJLFXDMNSRFPK-UHFFFAOYSA-N
XLogP2.47
TPSA176.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.66
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773
tert-butyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539467
tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539461
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 35939336
tert-butyl piperazine-1-carboxylate;1-cyclopentyl-3-[(1S)-1,2-diphenylethyl]urea
CID 143935484
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291
tert-butyl 4-[3-[(1R)-1-pyridin-2-ylethoxy]propyl]piperidine-1-carboxylate
CID 97176060
3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid
CID 174532909
tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol
CID 142239984
tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate
CID 71633691

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid?
The IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid (CID 68828048) is tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid?
The canonical SMILES for tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)N1CCC(N)CC1.CCOC(=O)C(NC(=O)NC1CCN(C(=O)O)CC1)c1ccccn1.
What is the InChIKey of tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid?
The InChIKey is LCJLFXDMNSRFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5.C10H20N2O2/c1-2-25-14(21)13(12-5-3-4-8-17-12)19-15(22)18-11-6-9-20(10-7-11)16(23)24;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h3-5,8,11,13H,2,6-7,9-10H2,1H3,(H,23,24)(H2,18,19,22);8H,4-7,11H2,1-3H3.
What are the key properties of tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid?
tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid has a molecular weight of 550.66 g/mol, XLogP of 2.47, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68828048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).