tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate

C21H30N4O5 — CID 55698240

IUPACtert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H30N4O5/c1-21(2,3)30-20(28)25-10-8-24(9-11-25)19(27)22-17-7-5-4-6-16(17)18(26)23-12-14-29-15-13-23/h4-7H,8-15H2,1-3H3,(H,22,27)
InChIKeyPSFOOYMBRSBRNM-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.24
Rot. Bonds2

About tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate

tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate (PubChem CID 55698240) has the molecular formula C21H30N4O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate
PubChem CID55698240
Molecular FormulaC21H30N4O5
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC Nametert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H30N4O5/c1-21(2,3)30-20(28)25-10-8-24(9-11-25)19(27)22-17-7-5-4-6-16(17)18(26)23-12-14-29-15-13-23/h4-7H,8-15H2,1-3H3,(H,22,27)
InChIKeyPSFOOYMBRSBRNM-UHFFFAOYSA-N
XLogP2.24
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-(1,2,2-tricyanoethenylamino)benzoyl]piperazine-1-carboxylate
CID 168608486
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
N-[2-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71895877
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101998
tert-butyl 4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 47033792
tert-butyl 4-[2-[(2,6-dioxopiperidin-3-yl)amino]benzoyl]piperazine-1-carboxylate
CID 177301521
(2R)-2-(4-tert-butylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 26199060
N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide
CID 122141595
tert-butyl 4-(2-ethylsulfonylbenzoyl)piperazine-1-carboxylate
CID 38152114
2-(2-fluorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35325829
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
CID 55536184

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate (CID 55698240) is tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate?
The InChIKey is PSFOOYMBRSBRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5/c1-21(2,3)30-20(28)25-10-8-24(9-11-25)19(27)22-17-7-5-4-6-16(17)18(26)23-12-14-29-15-13-23/h4-7H,8-15H2,1-3H3,(H,22,27).
What are the key properties of tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate?
tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate has a molecular weight of 418.49 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 55698240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).