[4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone

C24H25FN2O — CID 58494518

IUPAC[4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCC1=CCC(CC2CCN(C(=O)c3ccc(-c4ccccc4F)cc3)CC2)=N1
InChIInChI=1S/C24H25FN2O/c1-17-6-11-21(26-17)16-18-12-14-27(15-13-18)24(28)20-9-7-19(8-10-20)22-4-2-3-5-23(22)25/h2-10,18H,11-16H2,1H3
InChIKeyXQBXOUHZBVGAIT-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.48
Rot. Bonds4

About [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone

[4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 58494518) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID58494518
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name[4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCC1=CCC(CC2CCN(C(=O)c3ccc(-c4ccccc4F)cc3)CC2)=N1
InChIInChI=1S/C24H25FN2O/c1-17-6-11-21(26-17)16-18-12-14-27(15-13-18)24(28)20-9-7-19(8-10-20)22-4-2-3-5-23(22)25/h2-10,18H,11-16H2,1H3
InChIKeyXQBXOUHZBVGAIT-UHFFFAOYSA-N
XLogP5.48
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
N,N-diethyl-4-[(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 57392492
4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide
CID 2741225
4-[(1-Allyl-piperidin-4-ylidene)-phenyl-methyl]-N,N-diethyl-benzamide
CID 10452891
N,N-diethyl-4-((4-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10499145
N,N-Diethyl-4-{[1-(3-methyl-but-2-enyl)-piperidin-4-ylidene]-phenyl-methyl}-benzamide
CID 10549849
N,N-Diethyl-4-[(1-methyl-piperidin-4-ylidene)-phenyl-methyl]-benzamide
CID 10594839
N,N-Diethyl-4-[(2-fluoro-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10642670
4-[(1-Cyclopropylmethyl-piperidin-4-ylidene)-phenyl-methyl]-N,N-diethyl-benzamide
CID 10668838
N,N-Diethyl-4-[(4-methyl-piperazin-1-yl)-phenyl-methyl]-benzamide; hydrochloride
CID 10690216

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone (CID 58494518) is [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone is CC1=CCC(CC2CCN(C(=O)c3ccc(-c4ccccc4F)cc3)CC2)=N1.
What is the InChIKey of [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is XQBXOUHZBVGAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-17-6-11-21(26-17)16-18-12-14-27(15-13-18)24(28)20-9-7-19(8-10-20)22-4-2-3-5-23(22)25/h2-10,18H,11-16H2,1H3.
What are the key properties of [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone?
[4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 376.48 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-3H-pyrrol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 58494518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).