2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate

C16H29N3O4 — CID 54813767

IUPAC2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCC(C)COC(=O)CC1C(=O)NCCN1C(=O)CNC(C)(C)C
InChIInChI=1S/C16H29N3O4/c1-11(2)10-23-14(21)8-12-15(22)17-6-7-19(12)13(20)9-18-16(3,4)5/h11-12,18H,6-10H2,1-5H3,(H,17,22)
InChIKeyCQPPLDVXAGNJKF-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.29
Rot. Bonds6

About 2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate

2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 54813767) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate
PubChem CID54813767
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCC(C)COC(=O)CC1C(=O)NCCN1C(=O)CNC(C)(C)C
InChIInChI=1S/C16H29N3O4/c1-11(2)10-23-14(21)8-12-15(22)17-6-7-19(12)13(20)9-18-16(3,4)5/h11-12,18H,6-10H2,1-5H3,(H,17,22)
InChIKeyCQPPLDVXAGNJKF-UHFFFAOYSA-N
XLogP0.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of 2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate (CID 54813767) is 2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for 2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for 2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate is CC(C)COC(=O)CC1C(=O)NCCN1C(=O)CNC(C)(C)C.
What is the InChIKey of 2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is CQPPLDVXAGNJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-11(2)10-23-14(21)8-12-15(22)17-6-7-19(12)13(20)9-18-16(3,4)5/h11-12,18H,6-10H2,1-5H3,(H,17,22).
What are the key properties of 2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate?
2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 327.43 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54813767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).