(3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid

C19H23NO2S2 — CID 54419442

IUPAC(3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid
SMILESCc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1cccs1
InChIInChI=1S/C19H23NO2S2/c1-14-8-12-24-18(14)16(17-7-4-11-23-17)6-3-10-20-9-2-5-15(13-20)19(21)22/h4,6-8,11-12,15H,2-3,5,9-10,13H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyVZSYFEZWPMQBNC-OAHLLOKOSA-N
MW361.53 g/mol
LogP4.74
Rot. Bonds6

About (3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid

(3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid (PubChem CID 54419442) has the molecular formula C19H23NO2S2 and a molecular weight of 361.53 g/mol. Its IUPAC name is (3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid
PubChem CID54419442
Molecular FormulaC19H23NO2S2
Molecular Weight361.53 g/mol
Exact Mass361.12
IUPAC Name(3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid
SMILESCc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1cccs1
InChIInChI=1S/C19H23NO2S2/c1-14-8-12-24-18(14)16(17-7-4-11-23-17)6-3-10-20-9-2-5-15(13-20)19(21)22/h4,6-8,11-12,15H,2-3,5,9-10,13H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyVZSYFEZWPMQBNC-OAHLLOKOSA-N
XLogP4.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[(E)-4-(3-methylthiophen-2-yl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid;hydrochloride
CID 70359988
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid;(E)-but-2-enedioic acid
CID 71664141
1-[(Z)-4-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid
CID 23048932
1-[4-(4-chloro-2-methylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid
CID 54405184
(3R)-1-[4,4-bis[3-(phenoxymethyl)thiophen-2-yl]but-3-enyl]piperidine-3-carboxylic acid;hydrochloride
CID 45265773
1-[4-(1-ethylpyrrol-2-yl)-4-(3-ethylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid
CID 54043289
1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine
CID 143629002
(3R)-1-[(Z)-4-(2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53321703
(3R)-1-[(Z)-4-(2,6-dimethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53326406
(3R)-1-[2-[bis(3-methylthiophen-2-yl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid
CID 10788688
1-[(E)-4-(3-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 171377159
1-[4-(2-methylphenyl)-4-(1-methylpyrazol-3-yl)but-3-enyl]piperidine-3-carboxylic acid
CID 54282670

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid (CID 54419442) is (3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid is Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1cccs1.
What is the InChIKey of (3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid?
The InChIKey is VZSYFEZWPMQBNC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23NO2S2/c1-14-8-12-24-18(14)16(17-7-4-11-23-17)6-3-10-20-9-2-5-15(13-20)19(21)22/h4,6-8,11-12,15H,2-3,5,9-10,13H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid?
(3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid has a molecular weight of 361.53 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 54419442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).