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

C16H23N3 — CID 114327111

IUPAC7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESc1cc2c(c(CN3CCN(C4CC4)CC3)c1)NCC2
InChIInChI=1S/C16H23N3/c1-2-13-6-7-17-16(13)14(3-1)12-18-8-10-19(11-9-18)15-4-5-15/h1-3,15,17H,4-12H2
InChIKeyPQKYUCCESQJTHP-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.93
Rot. Bonds3

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

7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 114327111) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID114327111
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESc1cc2c(c(CN3CCN(C4CC4)CC3)c1)NCC2
InChIInChI=1S/C16H23N3/c1-2-13-6-7-17-16(13)14(3-1)12-18-8-10-19(11-9-18)15-4-5-15/h1-3,15,17H,4-12H2
InChIKeyPQKYUCCESQJTHP-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114327215
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidine-4-sulfonamide;hydrochloride
CID 120848251
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
3-cyclopropyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)imidazolidin-4-one;hydrochloride
CID 120857366
4-(2,3-dihydro-1H-indol-7-ylmethyl)-7-methyl-1,4-thiazepane 1,1-dioxide
CID 120857918
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
CID 113278018

Frequently Asked Questions

What is the IUPAC name of 7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 114327111) is 7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is c1cc2c(c(CN3CCN(C4CC4)CC3)c1)NCC2.
What is the InChIKey of 7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is PQKYUCCESQJTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-13-6-7-17-16(13)14(3-1)12-18-8-10-19(11-9-18)15-4-5-15/h1-3,15,17H,4-12H2.
What are the key properties of 7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 257.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114327111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).