tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate

C11H21N3O3 — CID 11195897

IUPACtert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1CCN(C(N)=O)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-9(15)8-13-4-6-14(7-5-13)10(12)16/h4-8H2,1-3H3,(H2,12,16)
InChIKeySBCWOUFFGWAPOD-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.02
Rot. Bonds2

About tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate

tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate (PubChem CID 11195897) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate
PubChem CID11195897
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1CCN(C(N)=O)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-9(15)8-13-4-6-14(7-5-13)10(12)16/h4-8H2,1-3H3,(H2,12,16)
InChIKeySBCWOUFFGWAPOD-UHFFFAOYSA-N
XLogP0.02
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-prop-1-en-2-yl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 59865517
tert-butyl 2-[4-(2-aminoethyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 24944493
tert-butyl 2-[4-(2-aminoethyl)piperazin-1-yl]acetate
CID 113366617
potassium 4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carbodithioate
CID 102233269
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383
tert-butyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 152732549
2-[7-(carboxymethyl)-4-(2-methoxy-2-oxoethyl)-10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118103312
tert-butyl 7-methylidene-4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,10-triaza-7-azoniacyclododecane-1-carboxylate
CID 59865579
2-[4,7-bis(2,2-dimethylpropyl)-10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 90246965
4-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
CID 69324402
3-[4,10-bis(carboxymethyl)-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 123320682
tert-butyl 2-[4-(2-oxopropyl)-1,4,7-triazonan-1-yl]acetate
CID 118026423

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate (CID 11195897) is tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate is CC(C)(C)OC(=O)CN1CCN(C(N)=O)CC1.
What is the InChIKey of tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate?
The InChIKey is SBCWOUFFGWAPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-9(15)8-13-4-6-14(7-5-13)10(12)16/h4-8H2,1-3H3,(H2,12,16).
What are the key properties of tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate?
tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate has a molecular weight of 243.31 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate is sourced from PubChem (CID 11195897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).