4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid

C15H22N2O3S — CID 114425398

IUPAC4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCC(NC(=O)N1CCC(C)CC1C(=O)O)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-3-11(13-5-4-8-21-13)16-15(20)17-7-6-10(2)9-12(17)14(18)19/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLFDANYREHJPUBK-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.09
Rot. Bonds4

About 4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid

4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 114425398) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID114425398
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCC(NC(=O)N1CCC(C)CC1C(=O)O)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-3-11(13-5-4-8-21-13)16-15(20)17-7-6-10(2)9-12(17)14(18)19/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLFDANYREHJPUBK-UHFFFAOYSA-N
XLogP3.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-hydroxy-1-(1-thiophen-2-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64713053
(2R,4R)-4-hydroxy-1-(1-thiophen-2-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999392
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 129431123
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622225
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622224
1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425691
4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 60547485
3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
CID 126425885
4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
CID 124608917
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide
CID 75515790

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid (CID 114425398) is 4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid is CCC(NC(=O)N1CCC(C)CC1C(=O)O)c1cccs1.
What is the InChIKey of 4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is LFDANYREHJPUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-11(13-5-4-8-21-13)16-15(20)17-7-6-10(2)9-12(17)14(18)19/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid?
4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114425398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).