4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid

C17H31N5O5 — CID 57034963

IUPAC4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C17H31N5O5/c1-17(2,3)27-16(26)22-8-6-19(7-9-22)5-4-18-14(23)20-10-12-21(13-11-20)15(24)25/h4-13H2,1-3H3,(H,18,23)(H,24,25)
InChIKeyISWWCFYTSCDKFZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.54
Rot. Bonds3

About 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid

4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid (PubChem CID 57034963) has the molecular formula C17H31N5O5 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid
PubChem CID57034963
Molecular FormulaC17H31N5O5
Molecular Weight385.47 g/mol
Exact Mass385.23
IUPAC Name4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C17H31N5O5/c1-17(2,3)27-16(26)22-8-6-19(7-9-22)5-4-18-14(23)20-10-12-21(13-11-20)15(24)25/h4-13H2,1-3H3,(H,18,23)(H,24,25)
InChIKeyISWWCFYTSCDKFZ-UHFFFAOYSA-N
XLogP0.54
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

Tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate
CID 18432746
Tert-butyl 4-[2-(piperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 19420472
Tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate
CID 47252237
Tert-butyl 4-(2-(3-ethylureido)ethyl)piperazine-1-carboxylate
CID 49677421
Tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
CID 20716162
tert-butyl (3S)-3-[(4-methylpiperazine-1-carbonyl)amino]piperidine-1-carboxylate
CID 59703661
CID 66735026
CID 66735026
Tert-butyl 2-[(4-methylpiperazine-1-carbonyl)amino]piperidine-1-carboxylate
CID 66991638
2-[(2-Methylpropan-2-yl)oxycarbonylamino]piperazine-1-carboxylic acid
CID 67253233
Tert-butyl 4-(1-piperazin-1-ylethyl)piperazine-1-carboxylate
CID 67764601
tert-butyl N-[2-[4-[4-(2-aminoethyl)piperazin-2-yl]piperazin-1-yl]ethyl]carbamate
CID 91054570
Tert-butyl 4-[3-(ethylcarbamoylamino)propyl]piperazine-1-carboxylate
CID 91064120

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid (CID 57034963) is 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid is CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCN(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid?
The InChIKey is ISWWCFYTSCDKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O5/c1-17(2,3)27-16(26)22-8-6-19(7-9-22)5-4-18-14(23)20-10-12-21(13-11-20)15(24)25/h4-13H2,1-3H3,(H,18,23)(H,24,25).
What are the key properties of 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid?
4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid has a molecular weight of 385.47 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 57034963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).