3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide

C19H27N3O3 — CID 73293311

IUPAC3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide
SMILESCC(C)CC1NC(=O)C(CCC(=O)NCCc2ccccc2)NC1=O
InChIInChI=1S/C19H27N3O3/c1-13(2)12-16-19(25)21-15(18(24)22-16)8-9-17(23)20-11-10-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyHENGXXJBCZKGME-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.15
Rot. Bonds8

About 3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide

3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide (PubChem CID 73293311) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide
PubChem CID73293311
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide
SMILESCC(C)CC1NC(=O)C(CCC(=O)NCCc2ccccc2)NC1=O
InChIInChI=1S/C19H27N3O3/c1-13(2)12-16-19(25)21-15(18(24)22-16)8-9-17(23)20-11-10-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyHENGXXJBCZKGME-UHFFFAOYSA-N
XLogP1.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide (CID 73293311) is 3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide is CC(C)CC1NC(=O)C(CCC(=O)NCCc2ccccc2)NC1=O.
What is the InChIKey of 3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide?
The InChIKey is HENGXXJBCZKGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(2)12-16-19(25)21-15(18(24)22-16)8-9-17(23)20-11-10-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of 3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide?
3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide has a molecular weight of 345.44 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 73293311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).