(5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide

C12H23N5O2 — CID 59185306

IUPAC(5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C)[C@@H](CCC/N=C(\C)N)C(=O)N1
InChIInChI=1S/C12H23N5O2/c1-8(13)15-6-4-5-10-12(19)16-9(7-17(10)3)11(18)14-2/h9-10H,4-7H2,1-3H3,(H2,13,15)(H,14,18)(H,16,19)/t9?,10-/m0/s1
InChIKeyADVWXOXCIGEAOK-AXDSSHIGSA-N
MW269.35 g/mol
LogP-1.31
Rot. Bonds5

About (5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide

(5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide (PubChem CID 59185306) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is (5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide.

Molecular Properties

Compound Name(5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide
PubChem CID59185306
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name(5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C)[C@@H](CCC/N=C(\C)N)C(=O)N1
InChIInChI=1S/C12H23N5O2/c1-8(13)15-6-4-5-10-12(19)16-9(7-17(10)3)11(18)14-2/h9-10H,4-7H2,1-3H3,(H2,13,15)(H,14,18)(H,16,19)/t9?,10-/m0/s1
InChIKeyADVWXOXCIGEAOK-AXDSSHIGSA-N
XLogP-1.31
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide?
The IUPAC name of (5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide (CID 59185306) is (5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide.
What is the SMILES notation for (5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide?
The canonical SMILES for (5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide is CNC(=O)C1CN(C)[C@@H](CCC/N=C(\C)N)C(=O)N1.
What is the InChIKey of (5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide?
The InChIKey is ADVWXOXCIGEAOK-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-8(13)15-6-4-5-10-12(19)16-9(7-17(10)3)11(18)14-2/h9-10H,4-7H2,1-3H3,(H2,13,15)(H,14,18)(H,16,19)/t9?,10-/m0/s1.
What are the key properties of (5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide?
(5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide is sourced from PubChem (CID 59185306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).