[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone

C29H29FN2O — CID 70799314

IUPAC[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone
SMILESCC(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C29H29FN2O/c1-21(23-7-3-2-4-8-23)24-15-17-31(18-16-24)29(33)28-19-25-9-5-6-10-27(25)32(28)20-22-11-13-26(30)14-12-22/h2-14,19,21,24H,15-18,20H2,1H3
InChIKeyNPHCHAXLMHSKBE-UHFFFAOYSA-N
MW440.56 g/mol
LogP6.48
Rot. Bonds5

About [1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone

[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone (PubChem CID 70799314) has the molecular formula C29H29FN2O and a molecular weight of 440.56 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone
PubChem CID70799314
Molecular FormulaC29H29FN2O
Molecular Weight440.56 g/mol
Exact Mass440.23
IUPAC Name[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone
SMILESCC(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C29H29FN2O/c1-21(23-7-3-2-4-8-23)24-15-17-31(18-16-24)29(33)28-19-25-9-5-6-10-27(25)32(28)20-22-11-13-26(30)14-12-22/h2-14,19,21,24H,15-18,20H2,1H3
InChIKeyNPHCHAXLMHSKBE-UHFFFAOYSA-N
XLogP6.48
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.56
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 158190436
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 55923290
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 29140119
(3S)-1-(1-benzylindole-2-carbonyl)pyrrolidine-3-carboxamide
CID 94512799
(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
CID 1427980
(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 71893736
1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 142731680
ethyl 1-[4-[(4-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46039420
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 164610929
ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
CID 46491360
(1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607135

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone (CID 70799314) is [1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone is CC(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is NPHCHAXLMHSKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN2O/c1-21(23-7-3-2-4-8-23)24-15-17-31(18-16-24)29(33)28-19-25-9-5-6-10-27(25)32(28)20-22-11-13-26(30)14-12-22/h2-14,19,21,24H,15-18,20H2,1H3.
What are the key properties of [1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone?
[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 440.56 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70799314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).