1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid

C19H24N2O3 — CID 72850412

IUPAC1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H24N2O3/c1-11-4-5-12(2)18-17(11)15(13(3)20-18)10-16(22)21-8-6-14(7-9-21)19(23)24/h4-5,14,20H,6-10H2,1-3H3,(H,23,24)
InChIKeySUILAQHTQXWWSA-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.96
Rot. Bonds3

About 1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 72850412) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID72850412
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H24N2O3/c1-11-4-5-12(2)18-17(11)15(13(3)20-18)10-16(22)21-8-6-14(7-9-21)19(23)24/h4-5,14,20H,6-10H2,1-3H3,(H,23,24)
InChIKeySUILAQHTQXWWSA-UHFFFAOYSA-N
XLogP2.96
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 70743384
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 77090227
1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 56870900
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701
(3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138806243
1-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 70724365
(3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one
CID 97120229
1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 97130924
1-[2-(2,4,6-trimethylphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533845
1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 119166161
1-[2-(4-ethylsulfonylphenyl)acetyl]piperidine-4-carboxylic acid
CID 119166185
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid (CID 72850412) is 1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid is Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is SUILAQHTQXWWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-11-4-5-12(2)18-17(11)15(13(3)20-18)10-16(22)21-8-6-14(7-9-21)19(23)24/h4-5,14,20H,6-10H2,1-3H3,(H,23,24).
What are the key properties of 1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 72850412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).