tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate

C19H34N4O5 — CID 110625297

IUPACtert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NCC(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C19H34N4O5/c1-19(2,3)28-18(26)23-7-4-15(5-8-23)17(25)21-14-16(24)20-6-9-22-10-12-27-13-11-22/h15H,4-14H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyRZZDIZSJMRTQQE-UHFFFAOYSA-N
MW398.50 g/mol
LogP0.20
Rot. Bonds6

About tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 110625297) has the molecular formula C19H34N4O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
PubChem CID110625297
Molecular FormulaC19H34N4O5
Molecular Weight398.50 g/mol
Exact Mass398.25
IUPAC Nametert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NCC(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C19H34N4O5/c1-19(2,3)28-18(26)23-7-4-15(5-8-23)17(25)21-14-16(24)20-6-9-22-10-12-27-13-11-22/h15H,4-14H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyRZZDIZSJMRTQQE-UHFFFAOYSA-N
XLogP0.20
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 112991537
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
CID 103618127
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 47178269
4-N-(2-morpholin-4-ylethyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428885
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 57496371
tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate
CID 97056058
tert-butyl 4-[[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111417184
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 41242425
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119863890

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate (CID 110625297) is tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NCC(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is RZZDIZSJMRTQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O5/c1-19(2,3)28-18(26)23-7-4-15(5-8-23)17(25)21-14-16(24)20-6-9-22-10-12-27-13-11-22/h15H,4-14H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 398.50 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 110625297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).