N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide

C24H29FN2O2 — CID 131923524

IUPACN-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(F)c(CN2CCC(CNC(=O)C3CCc4ccccc43)CC2)c1
InChIInChI=1S/C24H29FN2O2/c1-29-20-7-9-23(25)19(14-20)16-27-12-10-17(11-13-27)15-26-24(28)22-8-6-18-4-2-3-5-21(18)22/h2-5,7,9,14,17,22H,6,8,10-13,15-16H2,1H3,(H,26,28)
InChIKeyDWKQKWZDLZIXBI-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.89
Rot. Bonds6

About N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide

N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 131923524) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID131923524
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC NameN-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(F)c(CN2CCC(CNC(=O)C3CCc4ccccc43)CC2)c1
InChIInChI=1S/C24H29FN2O2/c1-29-20-7-9-23(25)19(14-20)16-27-12-10-17(11-13-27)15-26-24(28)22-8-6-18-4-2-3-5-21(18)22/h2-5,7,9,14,17,22H,6,8,10-13,15-16H2,1H3,(H,26,28)
InChIKeyDWKQKWZDLZIXBI-UHFFFAOYSA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide with MolForge

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Related Compounds

1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine
CID 56914097
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
3-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 42100928
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55715034
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954148
N-[[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 131894768
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide
CID 71991294
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030
(4S)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4H-1,3-benzodioxine-4-carboxamide
CID 51498165
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42947168

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 131923524) is N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide is COc1ccc(F)c(CN2CCC(CNC(=O)C3CCc4ccccc43)CC2)c1.
What is the InChIKey of N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is DWKQKWZDLZIXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-29-20-7-9-23(25)19(14-20)16-27-12-10-17(11-13-27)15-26-24(28)22-8-6-18-4-2-3-5-21(18)22/h2-5,7,9,14,17,22H,6,8,10-13,15-16H2,1H3,(H,26,28).
What are the key properties of N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 131923524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).