tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate

C22H41N3O4 — CID 124886925

IUPACtert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate
SMILESC[C@H](CNC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)CN1CCOCC1
InChIInChI=1S/C22H41N3O4/c1-17(16-24-10-12-28-13-11-24)15-23-20(26)14-18(2)19-6-8-25(9-7-19)21(27)29-22(3,4)5/h17-19H,6-16H2,1-5H3,(H,23,26)/t17-,18-/m1/s1
InChIKeyCWWVGQXXOAFQRQ-QZTJIDSGSA-N
MW411.59 g/mol
LogP2.74
Rot. Bonds7

About tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate

tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate (PubChem CID 124886925) has the molecular formula C22H41N3O4 and a molecular weight of 411.59 g/mol. Its IUPAC name is tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate
PubChem CID124886925
Molecular FormulaC22H41N3O4
Molecular Weight411.59 g/mol
Exact Mass411.31
IUPAC Nametert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate
SMILESC[C@H](CNC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)CN1CCOCC1
InChIInChI=1S/C22H41N3O4/c1-17(16-24-10-12-28-13-11-24)15-23-20(26)14-18(2)19-6-8-25(9-7-19)21(27)29-22(3,4)5/h17-19H,6-16H2,1-5H3,(H,23,26)/t17-,18-/m1/s1
InChIKeyCWWVGQXXOAFQRQ-QZTJIDSGSA-N
XLogP2.74
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-4-ylbutanamide
CID 119869028
N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide
CID 119869012
tert-butyl 3-[[N'-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467463
tert-butyl 4-[(2S)-4-oxo-4-(2-phenoxyethylamino)butan-2-yl]piperidine-1-carboxylate
CID 124889370
tert-butyl 4-[(2R)-4-oxo-4-(2-phenoxyethylamino)butan-2-yl]piperidine-1-carboxylate
CID 124889372
tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851
tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate
CID 142325179
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
CID 103618127
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 129073944

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate (CID 124886925) is tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate is C[C@H](CNC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)CN1CCOCC1.
What is the InChIKey of tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate?
The InChIKey is CWWVGQXXOAFQRQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H41N3O4/c1-17(16-24-10-12-28-13-11-24)15-23-20(26)14-18(2)19-6-8-25(9-7-19)21(27)29-22(3,4)5/h17-19H,6-16H2,1-5H3,(H,23,26)/t17-,18-/m1/s1.
What are the key properties of tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate has a molecular weight of 411.59 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 124886925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).