4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid

C14H20N2O3S — CID 134072245

IUPAC4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCC(N(C)C)CC1C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-9-5-7-20-12(9)13(17)16-6-4-10(15(2)3)8-11(16)14(18)19/h5,7,10-11H,4,6,8H2,1-3H3,(H,18,19)
InChIKeyIWNYYLPODCOQLI-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.68
Rot. Bonds3

About 4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid

4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 134072245) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID134072245
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCC(N(C)C)CC1C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-9-5-7-20-12(9)13(17)16-6-4-10(15(2)3)8-11(16)14(18)19/h5,7,10-11H,4,6,8H2,1-3H3,(H,18,19)
InChIKeyIWNYYLPODCOQLI-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592
(2R,4S)-4-(dimethylamino)-1-(3-fluoro-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 97391072
(2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
CID 97468816
1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid
CID 134078784
4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(3-methylthiophene-2-carbonyl)piperazine-2-carboxylic acid
CID 66569646
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
[(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylthiophen-2-yl)methanone
CID 97458979
2-methyl-3-(3-methylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792326
2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899521
(2S)-1-(3-ethylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66264413
1-[(4aS,7aR)-1-(3-methylthiophene-2-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-2-methylpropan-1-one
CID 70758057
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid (CID 134072245) is 4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid is Cc1ccsc1C(=O)N1CCC(N(C)C)CC1C(=O)O.
What is the InChIKey of 4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is IWNYYLPODCOQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-5-7-20-12(9)13(17)16-6-4-10(15(2)3)8-11(16)14(18)19/h5,7,10-11H,4,6,8H2,1-3H3,(H,18,19).
What are the key properties of 4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid?
4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 134072245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).