5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid

C18H21N3O3S — CID 74242695

IUPAC5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC(c2cccnc2)N2CCCCC2)s1
InChIInChI=1S/C18H21N3O3S/c22-17(15-6-7-16(25-15)18(23)24)20-12-14(13-5-4-8-19-11-13)21-9-2-1-3-10-21/h4-8,11,14H,1-3,9-10,12H2,(H,20,22)(H,23,24)
InChIKeyIGDFAEODFACYJK-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.80
Rot. Bonds6

About 5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid

5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 74242695) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID74242695
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC(c2cccnc2)N2CCCCC2)s1
InChIInChI=1S/C18H21N3O3S/c22-17(15-6-7-16(25-15)18(23)24)20-12-14(13-5-4-8-19-11-13)21-9-2-1-3-10-21/h4-8,11,14H,1-3,9-10,12H2,(H,20,22)(H,23,24)
InChIKeyIGDFAEODFACYJK-UHFFFAOYSA-N
XLogP2.80
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 74234117
2-ethyl-4-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 74246411
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
CID 131907416
N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 95714741
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
CID 97237164
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72916413
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97145393
5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45206058
1-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 162626540

Frequently Asked Questions

What is the IUPAC name of 5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid (CID 74242695) is 5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)NCC(c2cccnc2)N2CCCCC2)s1.
What is the InChIKey of 5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is IGDFAEODFACYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-17(15-6-7-16(25-15)18(23)24)20-12-14(13-5-4-8-19-11-13)21-9-2-1-3-10-21/h4-8,11,14H,1-3,9-10,12H2,(H,20,22)(H,23,24).
What are the key properties of 5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid?
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 359.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 74242695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).