1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid

C15H22N2O3S — CID 106744430

IUPAC1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCc1ccsc1CNC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C15H22N2O3S/c1-3-11-5-7-21-13(11)9-16-15(20)17-6-4-12(14(18)19)8-10(17)2/h5,7,10,12H,3-4,6,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDSZFHKCOFAZRTC-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.71
Rot. Bonds4

About 1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744430) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744430
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCc1ccsc1CNC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C15H22N2O3S/c1-3-11-5-7-21-13(11)9-16-15(20)17-6-4-12(14(18)19)8-10(17)2/h5,7,10,12H,3-4,6,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDSZFHKCOFAZRTC-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(thiophen-2-ylmethyl)carbamoyl]-L-valine
CID 664365
N~1~,N~1~-dimethyl-N~4~-(thien-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 3239396
4-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-1,4-dicarboxamide
CID 94156776
(2S,3R)-3-methyl-2-(3-(thiophen-2-ylmethyl)ureido)pentanoic acid
CID 664318
1-(1-Acetylpiperidin-4-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 45827206
5-(2,2,2-trifluoroethylcarbamoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 61805198
(3S,4S)-1-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121995066
(3S,4S)-1-[(3-methylthiophen-2-yl)methylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121998578
3-Methyl-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 4646069
Ethyl 1-((thiophen-2-ylmethyl)carbamoyl)piperidine-4-carboxylate
CID 47125519
(3S*,5R*)-5-[(cyclopropylamino)carbonyl]-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxylic acid
CID 56889117
2-(Benzylcarbamoylamino)-3-thiophen-3-ylpropanoic acid
CID 90922520

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106744430) is 1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid is CCc1ccsc1CNC(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is DSZFHKCOFAZRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-11-5-7-21-13(11)9-16-15(20)17-6-4-12(14(18)19)8-10(17)2/h5,7,10,12H,3-4,6,8-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylthiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).