(3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione

C15H21N3O2 — CID 101199393

IUPAC(3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione
SMILESCN1C(=O)CN(CCCN)C(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-17-13(10-12-6-3-2-4-7-12)15(20)18(9-5-8-16)11-14(17)19/h2-4,6-7,13H,5,8-11,16H2,1H3/t13-/m0/s1
InChIKeyAMJNIVZCVAVGRB-ZDUSSCGKSA-N
MW275.35 g/mol
LogP0.25
Rot. Bonds5

About (3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione

(3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione (PubChem CID 101199393) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione
PubChem CID101199393
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione
SMILESCN1C(=O)CN(CCCN)C(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-17-13(10-12-6-3-2-4-7-12)15(20)18(9-5-8-16)11-14(17)19/h2-4,6-7,13H,5,8-11,16H2,1H3/t13-/m0/s1
InChIKeyAMJNIVZCVAVGRB-ZDUSSCGKSA-N
XLogP0.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione?
The IUPAC name of (3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione (CID 101199393) is (3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione?
The canonical SMILES for (3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione is CN1C(=O)CN(CCCN)C(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione?
The InChIKey is AMJNIVZCVAVGRB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-13(10-12-6-3-2-4-7-12)15(20)18(9-5-8-16)11-14(17)19/h2-4,6-7,13H,5,8-11,16H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione?
(3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-aminopropyl)-3-benzyl-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 101199393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).