1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid

C17H17N3O5 — CID 57018188

IUPAC1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid
SMILESN#Cc1ccc(N2CC(C(=O)N3CCC(C(=O)O)CC3)OC2=O)cc1
InChIInChI=1S/C17H17N3O5/c18-9-11-1-3-13(4-2-11)20-10-14(25-17(20)24)15(21)19-7-5-12(6-8-19)16(22)23/h1-4,12,14H,5-8,10H2,(H,22,23)
InChIKeyPYGKESRDYQEYKC-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.21
Rot. Bonds3

About 1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid

1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid (PubChem CID 57018188) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid
PubChem CID57018188
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid
SMILESN#Cc1ccc(N2CC(C(=O)N3CCC(C(=O)O)CC3)OC2=O)cc1
InChIInChI=1S/C17H17N3O5/c18-9-11-1-3-13(4-2-11)20-10-14(25-17(20)24)15(21)19-7-5-12(6-8-19)16(22)23/h1-4,12,14H,5-8,10H2,(H,22,23)
InChIKeyPYGKESRDYQEYKC-UHFFFAOYSA-N
XLogP1.21
TPSA110.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyanophenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010301
1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 19439069
tert-butyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]piperidine-1-carboxylate
CID 50992297
4-[2-oxo-5-(piperidine-1-carbonyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 140969498
4-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 86914943
4-[1-(oxirane-2-carbonyl)piperidin-4-yl]benzonitrile
CID 154880231
3-[4-[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidine-5-carbonyl]piperazin-1-yl]propanoic acid
CID 15340946
2-[1-[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidin-4-yl]butanoic acid
CID 151362663
1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63031118
1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid
CID 19439042
1-(4-cyanophenyl)azocane-2-carboxylic acid
CID 114239766
1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 71432530

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid (CID 57018188) is 1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid is N#Cc1ccc(N2CC(C(=O)N3CCC(C(=O)O)CC3)OC2=O)cc1.
What is the InChIKey of 1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is PYGKESRDYQEYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c18-9-11-1-3-13(4-2-11)20-10-14(25-17(20)24)15(21)19-7-5-12(6-8-19)16(22)23/h1-4,12,14H,5-8,10H2,(H,22,23).
What are the key properties of 1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid?
1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 343.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 57018188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).