1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid

C21H28N2O5 — CID 119250602

IUPAC1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid
SMILESCC1CCC(CCC(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)O1
InChIInChI=1S/C21H28N2O5/c1-14-2-7-18(28-14)8-9-19(24)22-17-5-3-15(4-6-17)20(25)23-12-10-16(11-13-23)21(26)27/h3-6,14,16,18H,2,7-13H2,1H3,(H,22,24)(H,26,27)
InChIKeyNIKNBOIGRBLFJE-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.91
Rot. Bonds6

About 1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid

1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 119250602) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid
PubChem CID119250602
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid
SMILESCC1CCC(CCC(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)O1
InChIInChI=1S/C21H28N2O5/c1-14-2-7-18(28-14)8-9-19(24)22-17-5-3-15(4-6-17)20(25)23-12-10-16(11-13-23)21(26)27/h3-6,14,16,18H,2,7-13H2,1H3,(H,22,24)(H,26,27)
InChIKeyNIKNBOIGRBLFJE-UHFFFAOYSA-N
XLogP2.91
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-butylsulfanylpropanoylamino)benzoyl]piperidine-4-carboxylic acid
CID 119250568
1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid
CID 120528058
1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 119250666
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
1-[4-[(3,5-dimethylfuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250572
4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 119745800
1-[4-[(1-methylcyclopentanecarbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250461
1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250636
1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528033
1-[4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoyl]piperidine-4-carboxylic acid
CID 39080456
N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973011
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid (CID 119250602) is 1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid is CC1CCC(CCC(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)O1.
What is the InChIKey of 1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is NIKNBOIGRBLFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-14-2-7-18(28-14)8-9-19(24)22-17-5-3-15(4-6-17)20(25)23-12-10-16(11-13-23)21(26)27/h3-6,14,16,18H,2,7-13H2,1H3,(H,22,24)(H,26,27).
What are the key properties of 1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 388.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-methyloxolan-2-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119250602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).