3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid

C14H24N2O3S — CID 103064197

IUPAC3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)NC2CCSC2)C1
InChIInChI=1S/C14H24N2O3S/c1-10(7-13(17)18)11-3-2-5-16(8-11)14(19)15-12-4-6-20-9-12/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyGHOPWMPGMRUVFI-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.02
Rot. Bonds4

About 3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid

3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid (PubChem CID 103064197) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
PubChem CID103064197
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)NC2CCSC2)C1
InChIInChI=1S/C14H24N2O3S/c1-10(7-13(17)18)11-3-2-5-16(8-11)14(19)15-12-4-6-20-9-12/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyGHOPWMPGMRUVFI-UHFFFAOYSA-N
XLogP2.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046948
3-[1-(thiolan-3-yl)piperidin-3-yl]butanoic acid
CID 81046609
3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047521
3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046077
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 102699639
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81049909
3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
CID 81046204
3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid
CID 81048995
3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81048987

Frequently Asked Questions

What is the IUPAC name of 3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid (CID 103064197) is 3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)NC2CCSC2)C1.
What is the InChIKey of 3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid?
The InChIKey is GHOPWMPGMRUVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-10(7-13(17)18)11-3-2-5-16(8-11)14(19)15-12-4-6-20-9-12/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid?
3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid has a molecular weight of 300.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 103064197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).