3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid

C20H25N5O4 — CID 91352204

IUPAC3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCNCC3)[nH]c2=O)C1
InChIInChI=1S/C20H25N5O4/c26-18(23-11-8-21-9-12-23)16-17(14-5-2-1-3-6-14)25(19(27)22-16)15-7-4-10-24(13-15)20(28)29/h1-3,5-6,15,21H,4,7-13H2,(H,22,27)(H,28,29)
InChIKeyPVEUYGUPMBURFM-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.20
Rot. Bonds3

About 3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid

3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid (PubChem CID 91352204) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid
PubChem CID91352204
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCNCC3)[nH]c2=O)C1
InChIInChI=1S/C20H25N5O4/c26-18(23-11-8-21-9-12-23)16-17(14-5-2-1-3-6-14)25(19(27)22-16)15-7-4-10-24(13-15)20(28)29/h1-3,5-6,15,21H,4,7-13H2,(H,22,27)(H,28,29)
InChIKeyPVEUYGUPMBURFM-UHFFFAOYSA-N
XLogP1.20
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid (CID 91352204) is 3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid is O=C(O)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCNCC3)[nH]c2=O)C1.
What is the InChIKey of 3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid?
The InChIKey is PVEUYGUPMBURFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c26-18(23-11-8-21-9-12-23)16-17(14-5-2-1-3-6-14)25(19(27)22-16)15-7-4-10-24(13-15)20(28)29/h1-3,5-6,15,21H,4,7-13H2,(H,22,27)(H,28,29).
What are the key properties of 3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid?
3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid has a molecular weight of 399.45 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 91352204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).