1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid

C19H26N2O3 — CID 82260391

IUPAC1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
SMILESCC(=O)N1c2ccc(CCN3CCCC(C(=O)O)C3)cc2CC1C
InChIInChI=1S/C19H26N2O3/c1-13-10-17-11-15(5-6-18(17)21(13)14(2)22)7-9-20-8-3-4-16(12-20)19(23)24/h5-6,11,13,16H,3-4,7-10,12H2,1-2H3,(H,23,24)
InChIKeyVXIKNIGQVJAARC-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.32
Rot. Bonds4

About 1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid

1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid (PubChem CID 82260391) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
PubChem CID82260391
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
SMILESCC(=O)N1c2ccc(CCN3CCCC(C(=O)O)C3)cc2CC1C
InChIInChI=1S/C19H26N2O3/c1-13-10-17-11-15(5-6-18(17)21(13)14(2)22)7-9-20-8-3-4-16(12-20)19(23)24/h5-6,11,13,16H,3-4,7-10,12H2,1-2H3,(H,23,24)
InChIKeyVXIKNIGQVJAARC-UHFFFAOYSA-N
XLogP2.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-butanoyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82260393
1-[2-[1-(4-butylcyclohexanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]ethyl]piperidine-3-carboxylic acid
CID 82260403
1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid
CID 82260406
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457
1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82255755
1-[2-(3-amino-4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82256028
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255469
[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 82259192
1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 82260280
(3S)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 100892879
1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid (CID 82260391) is 1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid is CC(=O)N1c2ccc(CCN3CCCC(C(=O)O)C3)cc2CC1C.
What is the InChIKey of 1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is VXIKNIGQVJAARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-10-17-11-15(5-6-18(17)21(13)14(2)22)7-9-20-8-3-4-16(12-20)19(23)24/h5-6,11,13,16H,3-4,7-10,12H2,1-2H3,(H,23,24).
What are the key properties of 1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid?
1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82260391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).