5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid

C17H25N3O4S — CID 122110568

IUPAC5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCC(C)CNC(=O)N1CCCC(C(=O)NCc2ccc(C(=O)O)s2)C1
InChIInChI=1S/C17H25N3O4S/c1-11(2)8-19-17(24)20-7-3-4-12(10-20)15(21)18-9-13-5-6-14(25-13)16(22)23/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,21)(H,19,24)(H,22,23)
InChIKeyXHQDIYXJSRQWKZ-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.14
Rot. Bonds6

About 5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid

5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110568) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID122110568
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCC(C)CNC(=O)N1CCCC(C(=O)NCc2ccc(C(=O)O)s2)C1
InChIInChI=1S/C17H25N3O4S/c1-11(2)8-19-17(24)20-7-3-4-12(10-20)15(21)18-9-13-5-6-14(25-13)16(22)23/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,21)(H,19,24)(H,22,23)
InChIKeyXHQDIYXJSRQWKZ-UHFFFAOYSA-N
XLogP2.14
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid with MolForge

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Related Compounds

(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995
2-[4-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698437
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119506996
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62056913
3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119526290
(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95981578
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 139007358
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 71941255

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid (CID 122110568) is 5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid is CC(C)CNC(=O)N1CCCC(C(=O)NCc2ccc(C(=O)O)s2)C1.
What is the InChIKey of 5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is XHQDIYXJSRQWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-11(2)8-19-17(24)20-7-3-4-12(10-20)15(21)18-9-13-5-6-14(25-13)16(22)23/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,21)(H,19,24)(H,22,23).
What are the key properties of 5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 367.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).