(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid

C19H23N3O5 — CID 97119960

IUPAC(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1
InChIInChI=1S/C19H23N3O5/c1-2-8-19(17(25)26)9-3-10-21(12-19)16(24)13-4-6-14(7-5-13)22-11-15(23)20-18(22)27/h4-7H,2-3,8-12H2,1H3,(H,25,26)(H,20,23,27)/t19-/m1/s1
InChIKeyKHXSFCCGCVXIPJ-LJQANCHMSA-N
MW373.41 g/mol
LogP1.85
Rot. Bonds5

About (3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid

(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 97119960) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is (3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID97119960
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1
InChIInChI=1S/C19H23N3O5/c1-2-8-19(17(25)26)9-3-10-21(12-19)16(24)13-4-6-14(7-5-13)22-11-15(23)20-18(22)27/h4-7H,2-3,8-12H2,1H3,(H,25,26)(H,20,23,27)/t19-/m1/s1
InChIKeyKHXSFCCGCVXIPJ-LJQANCHMSA-N
XLogP1.85
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72847879
1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134146
(3S)-1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 97141633
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63850654
(3R)-3-ethyl-1-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 97147798
1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72908605
(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017533
3-ethyl-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylic acid
CID 63134440
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 106683454

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid (CID 97119960) is (3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid is CCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1.
What is the InChIKey of (3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is KHXSFCCGCVXIPJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-2-8-19(17(25)26)9-3-10-21(12-19)16(24)13-4-6-14(7-5-13)22-11-15(23)20-18(22)27/h4-7H,2-3,8-12H2,1H3,(H,25,26)(H,20,23,27)/t19-/m1/s1.
What are the key properties of (3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid?
(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 97119960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).