3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid

C19H24ClFN2O3 — CID 67536218

IUPAC3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid
SMILESCOCCCn1c(C2CCCN(C(=O)O)C2)c(C)c2c(F)ccc(Cl)c21
InChIInChI=1S/C19H24ClFN2O3/c1-12-16-15(21)7-6-14(20)18(16)23(9-4-10-26-2)17(12)13-5-3-8-22(11-13)19(24)25/h6-7,13H,3-5,8-11H2,1-2H3,(H,24,25)
InChIKeyRUCXGCLXNWWNPA-UHFFFAOYSA-N
MW382.86 g/mol
LogP4.64
Rot. Bonds5

About 3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid

3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid (PubChem CID 67536218) has the molecular formula C19H24ClFN2O3 and a molecular weight of 382.86 g/mol. Its IUPAC name is 3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid
PubChem CID67536218
Molecular FormulaC19H24ClFN2O3
Molecular Weight382.86 g/mol
Exact Mass382.15
IUPAC Name3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid
SMILESCOCCCn1c(C2CCCN(C(=O)O)C2)c(C)c2c(F)ccc(Cl)c21
InChIInChI=1S/C19H24ClFN2O3/c1-12-16-15(21)7-6-14(20)18(16)23(9-4-10-26-2)17(12)13-5-3-8-22(11-13)19(24)25/h6-7,13H,3-5,8-11H2,1-2H3,(H,24,25)
InChIKeyRUCXGCLXNWWNPA-UHFFFAOYSA-N
XLogP4.64
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-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-[(1R)-6-chloro-7-fluoro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-methoxyethanone
CID 171034421
1-(7-chloro-6-fluoro-5-methyl-1H,2H,3H,4H,5H-pyrido(4,3-b)indol-2-yl)-2-hydroxyethan-1-one
CID 137943015
1-(7-chloro-2,3-dimethyl-1H-indol-1-yl)-3-(4-(2-hydroxyethyl)piperazin-1-yl)propan-2-ol hydrochloride
CID 45283708
1-[(3R)-6-chloro-7-fluoro-3-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-methoxyethanone
CID 171034433
1-(7-Chloro-2,3-dimethylindolyl)-3-morpholin-4-ylpropan-2-ol
CID 17028346
1-(7-chloro-2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 17028351
1-(azepan-1-yl)-3-(7-chloro-2,3-dimethyl-1H-indol-1-yl)propan-2-ol
CID 17028352
1-(3-(7-chloro-2,3-dimethyl-1H-indol-1-yl)-2-hydroxypropyl)piperidin-4-ol
CID 17028355
1-(7-Chloro-2,3-dimethylindolyl)-3-[4-(2-hydroxyethyl)piperazinyl]propan-2-ol
CID 17028363
2-(2-acetyl-8-chloro-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid
CID 76321282
3-(2-acetyl-8-chloro-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid
CID 76324896
1-[6,8-dichloro-5-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-methoxyethanone
CID 139387888

Frequently Asked Questions

What is the IUPAC name of 3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid (CID 67536218) is 3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid is COCCCn1c(C2CCCN(C(=O)O)C2)c(C)c2c(F)ccc(Cl)c21.
What is the InChIKey of 3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is RUCXGCLXNWWNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O3/c1-12-16-15(21)7-6-14(20)18(16)23(9-4-10-26-2)17(12)13-5-3-8-22(11-13)19(24)25/h6-7,13H,3-5,8-11H2,1-2H3,(H,24,25).
What are the key properties of 3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid?
3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 382.86 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-chloro-4-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67536218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).