(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid

C15H20N2O4S — CID 119174270

IUPAC(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid
SMILESO=C(NCCCC(=O)N1CCC[C@H](C(=O)O)C1)c1ccsc1
InChIInChI=1S/C15H20N2O4S/c18-13(17-7-2-3-11(9-17)15(20)21)4-1-6-16-14(19)12-5-8-22-10-12/h5,8,10-11H,1-4,6-7,9H2,(H,16,19)(H,20,21)/t11-/m0/s1
InChIKeySCWIQEJKKZVLBG-NSHDSACASA-N
MW324.40 g/mol
LogP1.58
Rot. Bonds6

About (3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid

(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid (PubChem CID 119174270) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid
PubChem CID119174270
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid
SMILESO=C(NCCCC(=O)N1CCC[C@H](C(=O)O)C1)c1ccsc1
InChIInChI=1S/C15H20N2O4S/c18-13(17-7-2-3-11(9-17)15(20)21)4-1-6-16-14(19)12-5-8-22-10-12/h5,8,10-11H,1-4,6-7,9H2,(H,16,19)(H,20,21)/t11-/m0/s1
InChIKeySCWIQEJKKZVLBG-NSHDSACASA-N
XLogP1.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 43355929
N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 110886904
N-[4-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 35429839
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
(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119397628
1-[2-[methyl-[4-(thiophene-3-carbonylamino)butanoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236446
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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid (CID 119174270) is (3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid is O=C(NCCCC(=O)N1CCC[C@H](C(=O)O)C1)c1ccsc1.
What is the InChIKey of (3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid?
The InChIKey is SCWIQEJKKZVLBG-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-13(17-7-2-3-11(9-17)15(20)21)4-1-6-16-14(19)12-5-8-22-10-12/h5,8,10-11H,1-4,6-7,9H2,(H,16,19)(H,20,21)/t11-/m0/s1.
What are the key properties of (3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid?
(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid has a molecular weight of 324.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119174270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).