(3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid

C15H21NO2S — CID 97141674

IUPAC(3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CC[C@]1(C(=O)O)CCCN(Cc2ccc(C)s2)C1
InChIInChI=1S/C15H21NO2S/c1-3-7-15(14(17)18)8-4-9-16(11-15)10-13-6-5-12(2)19-13/h3,5-6H,1,4,7-11H2,2H3,(H,17,18)/t15-/m0/s1
InChIKeyLQYKOSBVWRNPMU-HNNXBMFYSA-N
MW279.40 g/mol
LogP3.30
Rot. Bonds5

About (3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid

(3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid (PubChem CID 97141674) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is (3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
PubChem CID97141674
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name(3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CC[C@]1(C(=O)O)CCCN(Cc2ccc(C)s2)C1
InChIInChI=1S/C15H21NO2S/c1-3-7-15(14(17)18)8-4-9-16(11-15)10-13-6-5-12(2)19-13/h3,5-6H,1,4,7-11H2,2H3,(H,17,18)/t15-/m0/s1
InChIKeyLQYKOSBVWRNPMU-HNNXBMFYSA-N
XLogP3.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 72922657
(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97148072
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 72899060
(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97137305
1-[(5-bromothiophen-2-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 55166663
(3S)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97145160
(3R)-1-(1H-imidazol-5-ylmethyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97123144
8-[(5-methylthiophen-2-yl)methyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131646426
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97136190
(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97145078
2-[4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65062127
1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid
CID 10944490

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid (CID 97141674) is (3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid is C=CC[C@]1(C(=O)O)CCCN(Cc2ccc(C)s2)C1.
What is the InChIKey of (3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid?
The InChIKey is LQYKOSBVWRNPMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-3-7-15(14(17)18)8-4-9-16(11-15)10-13-6-5-12(2)19-13/h3,5-6H,1,4,7-11H2,2H3,(H,17,18)/t15-/m0/s1.
What are the key properties of (3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid?
(3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid has a molecular weight of 279.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid is sourced from PubChem (CID 97141674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).