4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid

C15H19N3O2 — CID 142781838

IUPAC4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid
SMILESCn1c(CN2CCN(C(=O)O)CC2)cc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-16-13(10-12-4-2-3-5-14(12)16)11-17-6-8-18(9-7-17)15(19)20/h2-5,10H,6-9,11H2,1H3,(H,19,20)
InChIKeyBPYUDUKEFZUVDS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.97
Rot. Bonds2

About 4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid

4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid (PubChem CID 142781838) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid
PubChem CID142781838
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid
SMILESCn1c(CN2CCN(C(=O)O)CC2)cc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-16-13(10-12-4-2-3-5-14(12)16)11-17-6-8-18(9-7-17)15(19)20/h2-5,10H,6-9,11H2,1H3,(H,19,20)
InChIKeyBPYUDUKEFZUVDS-UHFFFAOYSA-N
XLogP1.97
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1-methylindol-2-yl)methyl]piperazine-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

4-[(1-methylindol-2-yl)methyl]morpholine
CID 117173146
3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 56710153
4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol
CID 74236763
4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid
CID 70760784
acetic acid;2-ethyl-1-methylindole
CID 70581856
2-(azepan-1-ylmethyl)-1-methylindole-5-carboxylic acid
CID 117176936
2-(azepan-1-ylmethyl)-1-methylindole-6-carboxylic acid
CID 117180384
N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide
CID 71695249
N-methyl-2-(1-methylindol-2-yl)acetamide
CID 139935396
5-[4-[(1-methylindol-2-yl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile
CID 20800768
4-[[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]-1-methylindol-2-yl]methyl]piperazine-1-carboxylic acid
CID 136501845
2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 171398245

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid (CID 142781838) is 4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid is Cn1c(CN2CCN(C(=O)O)CC2)cc2ccccc21.
What is the InChIKey of 4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid?
The InChIKey is BPYUDUKEFZUVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-13(10-12-4-2-3-5-14(12)16)11-17-6-8-18(9-7-17)15(19)20/h2-5,10H,6-9,11H2,1H3,(H,19,20).
What are the key properties of 4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid?
4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 142781838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).