1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

C17H18ClN3O3S — CID 122103079

IUPAC1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1
InChIInChI=1S/C17H18ClN3O3S/c1-10-6-11(16(22)23)9-21(8-10)17(24)20-12-2-3-13(19-7-12)14-4-5-15(18)25-14/h2-5,7,10-11H,6,8-9H2,1H3,(H,20,24)(H,22,23)
InChIKeyFPVAHGDBUPKGKE-UHFFFAOYSA-N
MW379.87 g/mol
LogP4.04
Rot. Bonds3

About 1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122103079) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122103079
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1
InChIInChI=1S/C17H18ClN3O3S/c1-10-6-11(16(22)23)9-21(8-10)17(24)20-12-2-3-13(19-7-12)14-4-5-15(18)25-14/h2-5,7,10-11H,6,8-9H2,1H3,(H,20,24)(H,22,23)
InChIKeyFPVAHGDBUPKGKE-UHFFFAOYSA-N
XLogP4.04
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[(6-carbamoyl-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102587
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118470
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
5-methyl-1-[[4-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102704
1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122119428
1-[(4-chloro-3-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103008
5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102780
1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103065
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102019
5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122103192

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122103079) is 1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1.
What is the InChIKey of 1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is FPVAHGDBUPKGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-10-6-11(16(22)23)9-21(8-10)17(24)20-12-2-3-13(19-7-12)14-4-5-15(18)25-14/h2-5,7,10-11H,6,8-9H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 379.87 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122103079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).