3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid

C17H26N2O2S — CID 122101002

IUPAC3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(Cc2csc(C3CCCC3)n2)C1
InChIInChI=1S/C17H26N2O2S/c20-16(21)8-7-13-4-3-9-19(10-13)11-15-12-22-17(18-15)14-5-1-2-6-14/h12-14H,1-11H2,(H,20,21)
InChIKeyVKNKJVMFZSSTBM-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.88
Rot. Bonds6

About 3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid

3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid (PubChem CID 122101002) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid
PubChem CID122101002
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(Cc2csc(C3CCCC3)n2)C1
InChIInChI=1S/C17H26N2O2S/c20-16(21)8-7-13-4-3-9-19(10-13)11-15-12-22-17(18-15)14-5-1-2-6-14/h12-14H,1-11H2,(H,20,21)
InChIKeyVKNKJVMFZSSTBM-UHFFFAOYSA-N
XLogP3.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic 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

3-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]propanoic acid
CID 122101047
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
(2R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119913941
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56812929
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
CID 62690788
3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
CID 114191537
2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106814013
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133
2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 165435501
3-[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 97102083
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 154829673

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid (CID 122101002) is 3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(Cc2csc(C3CCCC3)n2)C1.
What is the InChIKey of 3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid?
The InChIKey is VKNKJVMFZSSTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-16(21)8-7-13-4-3-9-19(10-13)11-15-12-22-17(18-15)14-5-1-2-6-14/h12-14H,1-11H2,(H,20,21).
What are the key properties of 3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid?
3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid has a molecular weight of 322.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 122101002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).