2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide

C18H27FN2O2 — CID 139707126

IUPAC2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(C2CCC3=CCC(F)(OC)C=C32)CC1
InChIInChI=1S/C18H27FN2O2/c1-20-17(22)12-21-9-6-14(7-10-21)15-4-3-13-5-8-18(19,23-2)11-16(13)15/h5,11,14-15H,3-4,6-10,12H2,1-2H3,(H,20,22)
InChIKeyXTCPBTOLISTHGF-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.42
Rot. Bonds4

About 2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide

2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide (PubChem CID 139707126) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide
PubChem CID139707126
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(C2CCC3=CCC(F)(OC)C=C32)CC1
InChIInChI=1S/C18H27FN2O2/c1-20-17(22)12-21-9-6-14(7-10-21)15-4-3-13-5-8-18(19,23-2)11-16(13)15/h5,11,14-15H,3-4,6-10,12H2,1-2H3,(H,20,22)
InChIKeyXTCPBTOLISTHGF-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-N-methylacetamide
CID 139707137
methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 143494239
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600
2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide
CID 99696313
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 16909656
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142367954
ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 142390398
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide (CID 139707126) is 2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(C2CCC3=CCC(F)(OC)C=C32)CC1.
What is the InChIKey of 2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide?
The InChIKey is XTCPBTOLISTHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-20-17(22)12-21-9-6-14(7-10-21)15-4-3-13-5-8-18(19,23-2)11-16(13)15/h5,11,14-15H,3-4,6-10,12H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide?
2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide has a molecular weight of 322.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-6-methoxy-1,2,3,5-tetrahydroinden-1-yl)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 139707126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).