1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid

C14H18N2O4S — CID 43355929

IUPAC1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(NCCC(=O)N1CCCC(C(=O)O)C1)c1ccsc1
InChIInChI=1S/C14H18N2O4S/c17-12(16-6-1-2-10(8-16)14(19)20)3-5-15-13(18)11-4-7-21-9-11/h4,7,9-10H,1-3,5-6,8H2,(H,15,18)(H,19,20)
InChIKeyYRLBAWRDYGSYGS-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.19
Rot. Bonds5

About 1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid

1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid (PubChem CID 43355929) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
PubChem CID43355929
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(NCCC(=O)N1CCCC(C(=O)O)C1)c1ccsc1
InChIInChI=1S/C14H18N2O4S/c17-12(16-6-1-2-10(8-16)14(19)20)3-5-15-13(18)11-4-7-21-9-11/h4,7,9-10H,1-3,5-6,8H2,(H,15,18)(H,19,20)
InChIKeyYRLBAWRDYGSYGS-UHFFFAOYSA-N
XLogP1.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174270
N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119397628
1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355708
(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035340
N-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 62370593
N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 110886904
(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
N-[4-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 35429839
N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 119402669
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 36512324
4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid
CID 119240043

Frequently Asked Questions

What is the IUPAC name of 1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid (CID 43355929) is 1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid is O=C(NCCC(=O)N1CCCC(C(=O)O)C1)c1ccsc1.
What is the InChIKey of 1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is YRLBAWRDYGSYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-12(16-6-1-2-10(8-16)14(19)20)3-5-15-13(18)11-4-7-21-9-11/h4,7,9-10H,1-3,5-6,8H2,(H,15,18)(H,19,20).
What are the key properties of 1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43355929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).