CID 174806114

C11H20N5O4P — CID 174806114

IUPAC—
SMILESC[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.NP
InChIInChI=1S/C11H16N4O4.H4NP/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;1-2/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1-2H2/t7-;/m0./s1
InChIKeyXHPIUNOOBKAVHI-FJXQXJEOSA-N
MW317.29 g/mol
LogP-2.97
Rot. Bonds3

About CID 174806114

CID 174806114 (PubChem CID 174806114) has the molecular formula C11H20N5O4P and a molecular weight of 317.29 g/mol.

Molecular Properties

Compound NameCID 174806114
PubChem CID174806114
Molecular FormulaC11H20N5O4P
Molecular Weight317.29 g/mol
Exact Mass317.13
IUPAC Name—
SMILESC[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.NP
InChIInChI=1S/C11H16N4O4.H4NP/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;1-2/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1-2H2/t7-;/m0./s1
InChIKeyXHPIUNOOBKAVHI-FJXQXJEOSA-N
XLogP-2.97
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 5-2.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride
CID 54611902
4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione
CID 59840666
4-(2-aminopropyl)piperazine-2,6-dione
CID 102689066
4-[(2R)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione
CID 15077629
4-(1-phenylpropan-2-yl)piperazine-2,6-dione
CID 63788386
3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid
CID 130593704
4-(4-methylpentyl)piperazine-2,6-dione
CID 63788739
4-propylpiperazine-2,6-dione
CID 63787682
2-(3,5-dioxopiperazin-1-yl)butanoic acid
CID 66085713
4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
CID 63789266
propan-2-yl 2-(3,5-dioxopiperazin-1-yl)acetate
CID 66084350
4-(1-cyclopropylpropyl)piperazine-2,6-dione
CID 131048358

Frequently Asked Questions

What is the IUPAC name of CID 174806114?
The IUPAC name of CID 174806114 (CID 174806114) is not available.
What is the SMILES notation for CID 174806114?
The canonical SMILES for CID 174806114 is C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.NP.
What is the InChIKey of CID 174806114?
The InChIKey is XHPIUNOOBKAVHI-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H16N4O4.H4NP/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;1-2/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1-2H2/t7-;/m0./s1.
What are the key properties of CID 174806114?
CID 174806114 has a molecular weight of 317.29 g/mol, XLogP of -2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174806114 is sourced from PubChem (CID 174806114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).