(3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

C14H21N3O4 — CID 81118238

IUPAC(3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1noc(C)c1C(C)NC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H21N3O4/c1-8(12-9(2)16-21-10(12)3)15-14(20)17-6-4-5-11(7-17)13(18)19/h8,11H,4-7H2,1-3H3,(H,15,20)(H,18,19)/t8?,11-/m0/s1
InChIKeyBEONWDFSHNTXFZ-LYNSQETBSA-N
MW295.34 g/mol
LogP1.86
Rot. Bonds3

About (3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

(3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81118238) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81118238
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1noc(C)c1C(C)NC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H21N3O4/c1-8(12-9(2)16-21-10(12)3)15-14(20)17-6-4-5-11(7-17)13(18)19/h8,11H,4-7H2,1-3H3,(H,15,20)(H,18,19)/t8?,11-/m0/s1
InChIKeyBEONWDFSHNTXFZ-LYNSQETBSA-N
XLogP1.86
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111174169
(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124690967
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
(3S)-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126163
1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one
CID 78961619
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 78996821
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713
1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015374
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052
1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122012056

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 81118238) is (3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is Cc1noc(C)c1C(C)NC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BEONWDFSHNTXFZ-LYNSQETBSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-8(12-9(2)16-21-10(12)3)15-14(20)17-6-4-5-11(7-17)13(18)19/h8,11H,4-7H2,1-3H3,(H,15,20)(H,18,19)/t8?,11-/m0/s1.
What are the key properties of (3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81118238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).