2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide

C17H24FN3O2 — CID 139706630

IUPAC2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C2CCc3cc(F)c(OC)cc32)CC1
InChIInChI=1S/C17H24FN3O2/c1-19-17(22)11-20-5-7-21(8-6-20)15-4-3-12-9-14(18)16(23-2)10-13(12)15/h9-10,15H,3-8,11H2,1-2H3,(H,19,22)
InChIKeyLKVWEHSFHHJEGO-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.19
Rot. Bonds4

About 2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide

2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide (PubChem CID 139706630) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide
PubChem CID139706630
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C2CCc3cc(F)c(OC)cc32)CC1
InChIInChI=1S/C17H24FN3O2/c1-19-17(22)11-20-5-7-21(8-6-20)15-4-3-12-9-14(18)16(23-2)10-13(12)15/h9-10,15H,3-8,11H2,1-2H3,(H,19,22)
InChIKeyLKVWEHSFHHJEGO-UHFFFAOYSA-N
XLogP1.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide 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

5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 126986909
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide
CID 139706624
2-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-N-methylacetamide
CID 139707137
N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide
CID 139706623
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 21461155
2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 60588635
methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 143494239
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 34424370
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butane-1,2-dione
CID 22375405
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide (CID 139706630) is 2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C2CCc3cc(F)c(OC)cc32)CC1.
What is the InChIKey of 2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is LKVWEHSFHHJEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-19-17(22)11-20-5-7-21(8-6-20)15-4-3-12-9-14(18)16(23-2)10-13(12)15/h9-10,15H,3-8,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide?
2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 321.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 139706630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).