(3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid

C16H17ClN2O3 — CID 124696894

IUPAC(3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid
SMILESCn1c(C(=O)N2CCC[C@@H](C(=O)O)C2)c(Cl)c2ccccc21
InChIInChI=1S/C16H17ClN2O3/c1-18-12-7-3-2-6-11(12)13(17)14(18)15(20)19-8-4-5-10(9-19)16(21)22/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,22)/t10-/m1/s1
InChIKeyXSHPTZQJSFTOII-SNVBAGLBSA-N
MW320.78 g/mol
LogP2.77
Rot. Bonds2

About (3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 124696894) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is (3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID124696894
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name(3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid
SMILESCn1c(C(=O)N2CCC[C@@H](C(=O)O)C2)c(Cl)c2ccccc21
InChIInChI=1S/C16H17ClN2O3/c1-18-12-7-3-2-6-11(12)13(17)14(18)15(20)19-8-4-5-10(9-19)16(21)22/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,22)/t10-/m1/s1
InChIKeyXSHPTZQJSFTOII-SNVBAGLBSA-N
XLogP2.77
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174471
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
(3S)-1-[2-(1-methylindazol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 122107141
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(3S)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 78925286
1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 43355842
1-(3-chloro-1-methylindole-2-carbonyl)-3-(fluoromethyl)pyrrolidine-3-carboxylic acid
CID 138049378
1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
CID 171389822
(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113435
(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514251
(3S)-1-[5-chloro-2-[6-(3-chlorophenyl)hexyl]-1-methylindole-3-carbonyl]piperidine-3-carboxylic acid
CID 168947133
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid (CID 124696894) is (3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid is Cn1c(C(=O)N2CCC[C@@H](C(=O)O)C2)c(Cl)c2ccccc21.
What is the InChIKey of (3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is XSHPTZQJSFTOII-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-18-12-7-3-2-6-11(12)13(17)14(18)15(20)19-8-4-5-10(9-19)16(21)22/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,22)/t10-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 320.78 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 124696894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).