1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid

C16H20N2O2 — CID 65065153

IUPAC1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H20N2O2/c1-16(15(19)20)6-8-18(9-7-16)11-12-10-17-14-5-3-2-4-13(12)14/h2-5,10,17H,6-9,11H2,1H3,(H,19,20)
InChIKeyVFKXHOJMPUYVSR-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.85
Rot. Bonds3

About 1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid

1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 65065153) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID65065153
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H20N2O2/c1-16(15(19)20)6-8-18(9-7-16)11-12-10-17-14-5-3-2-4-13(12)14/h2-5,10,17H,6-9,11H2,1H3,(H,19,20)
InChIKeyVFKXHOJMPUYVSR-UHFFFAOYSA-N
XLogP2.85
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
1-[4-(1H-indol-3-yl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256041
3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-1H-indole;oxalic acid
CID 17367071
1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone
CID 134790547
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 878346
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 110397461
oxalic acid;3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 2900301
3-[[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-indole;oxalic acid
CID 90486114
N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463005
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-2H-isoquinolin-1-one
CID 166265222
benzyl 4-(1H-indol-3-ylmethyl)piperazine-1-carboxylate
CID 66853352
8-(1H-indol-3-ylmethyl)-1-methyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225594

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid (CID 65065153) is 1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is VFKXHOJMPUYVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(15(19)20)6-8-18(9-7-16)11-12-10-17-14-5-3-2-4-13(12)14/h2-5,10,17H,6-9,11H2,1H3,(H,19,20).
What are the key properties of 1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid?
1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65065153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).