7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole

C18H22N2S — CID 120849432

IUPAC7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESc1cc2c(c(CN3CCC(c4ccsc4)CC3)c1)NCC2
InChIInChI=1S/C18H22N2S/c1-2-15-4-8-19-18(15)16(3-1)12-20-9-5-14(6-10-20)17-7-11-21-13-17/h1-3,7,11,13-14,19H,4-6,8-10,12H2
InChIKeyGWXGDGDOKVJNDT-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.10
Rot. Bonds3

About 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole

7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 120849432) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID120849432
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESc1cc2c(c(CN3CCC(c4ccsc4)CC3)c1)NCC2
InChIInChI=1S/C18H22N2S/c1-2-15-4-8-19-18(15)16(3-1)12-20-9-5-14(6-10-20)17-7-11-21-13-17/h1-3,7,11,13-14,19H,4-6,8-10,12H2
InChIKeyGWXGDGDOKVJNDT-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride
CID 120849431
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidine-4-sulfonamide;hydrochloride
CID 120848251
7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120849175
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
CID 113278018
4-(2,3-dihydro-1H-indol-7-ylmethyl)-7-methyl-1,4-thiazepane 1,1-dioxide
CID 120857918
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 114327008
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 114327054
7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114327215

Frequently Asked Questions

What is the IUPAC name of 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 120849432) is 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole is c1cc2c(c(CN3CCC(c4ccsc4)CC3)c1)NCC2.
What is the InChIKey of 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is GWXGDGDOKVJNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-2-15-4-8-19-18(15)16(3-1)12-20-9-5-14(6-10-20)17-7-11-21-13-17/h1-3,7,11,13-14,19H,4-6,8-10,12H2.
What are the key properties of 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 298.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 120849432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).