3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole

C17H25N3 — CID 80565688

IUPAC3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)NCC2CN1CCN(CC2CC2)CC1
InChIInChI=1S/C17H25N3/c1-2-4-17-16(3-1)15(11-18-17)13-20-9-7-19(8-10-20)12-14-5-6-14/h1-4,14-15,18H,5-13H2
InChIKeyISVOVRFPZQHTBP-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.22
Rot. Bonds4

About 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole

3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole (PubChem CID 80565688) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
PubChem CID80565688
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)NCC2CN1CCN(CC2CC2)CC1
InChIInChI=1S/C17H25N3/c1-2-4-17-16(3-1)15(11-18-17)13-20-9-7-19(8-10-20)12-14-5-6-14/h1-4,14-15,18H,5-13H2
InChIKeyISVOVRFPZQHTBP-UHFFFAOYSA-N
XLogP2.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole (CID 80565688) is 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole is c1ccc2c(c1)NCC2CN1CCN(CC2CC2)CC1.
What is the InChIKey of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole?
The InChIKey is ISVOVRFPZQHTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-4-17-16(3-1)15(11-18-17)13-20-9-7-19(8-10-20)12-14-5-6-14/h1-4,14-15,18H,5-13H2.
What are the key properties of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole?
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole has a molecular weight of 271.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 80565688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).