(2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide

C15H20N4O3 — CID 119283789

IUPAC(2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C15H20N4O3/c1-10(16)14(21)18-8-11-2-4-12(5-3-11)15(22)19-7-6-17-13(20)9-19/h2-5,10H,6-9,16H2,1H3,(H,17,20)(H,18,21)/t10-/m1/s1
InChIKeyPWUHAMKLJXBVKJ-SNVBAGLBSA-N
MW304.35 g/mol
LogP-0.78
Rot. Bonds4

About (2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide

(2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide (PubChem CID 119283789) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide
PubChem CID119283789
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C15H20N4O3/c1-10(16)14(21)18-8-11-2-4-12(5-3-11)15(22)19-7-6-17-13(20)9-19/h2-5,10H,6-9,16H2,1H3,(H,17,20)(H,18,21)/t10-/m1/s1
InChIKeyPWUHAMKLJXBVKJ-SNVBAGLBSA-N
XLogP-0.78
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]butanamide
CID 119283797
2-methyl-1-(2-methylpropyl)-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine
CID 111180963
1-butan-2-yl-2-methyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 110943005
1-benzyl-2-methyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine
CID 110952096
ethyl 4-[N'-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111164689
N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119713180
4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one
CID 62734574
1-[(2-fluorophenyl)methyl]-2-methyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111266190
N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119713198
3-(4-cyanophenyl)-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 60518891
4-(4-hydrazinylbenzoyl)piperazin-2-one
CID 62241624
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine
CID 111362265

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide (CID 119283789) is (2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide is C[C@@H](N)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of (2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide?
The InChIKey is PWUHAMKLJXBVKJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10(16)14(21)18-8-11-2-4-12(5-3-11)15(22)19-7-6-17-13(20)9-19/h2-5,10H,6-9,16H2,1H3,(H,17,20)(H,18,21)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide?
(2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide has a molecular weight of 304.35 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 119283789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).