1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid

C14H20N2O3S — CID 106005646

IUPAC1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(CNC(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-2-11-3-4-12(20-11)9-15-14(19)16-7-5-10(6-8-16)13(17)18/h3-4,10H,2,5-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyODODEIGSSWUNLS-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.32
Rot. Bonds4

About 1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid

1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 106005646) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID106005646
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(CNC(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-2-11-3-4-12(20-11)9-15-14(19)16-7-5-10(6-8-16)13(17)18/h3-4,10H,2,5-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyODODEIGSSWUNLS-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-ethylthiophen-2-yl)methylcarbamoyl]azetidine-3-carboxylic acid
CID 106005643
N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 119051482
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 106005540
1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 47238607
methyl 1-[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252059
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62056913
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106005432
3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106005669
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
(2S,4R)-1-[(5-ethylthiophen-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106005542
1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122000164

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 106005646) is 1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid is CCc1ccc(CNC(=O)N2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is ODODEIGSSWUNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-11-3-4-12(20-11)9-15-14(19)16-7-5-10(6-8-16)13(17)18/h3-4,10H,2,5-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106005646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).