[4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone

C24H30FN3O — CID 131939878

IUPAC[4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(NC3CCN(c4ccccc4F)CC3)CC2)cc1
InChIInChI=1S/C24H30FN3O/c1-18-6-8-19(9-7-18)24(29)28-16-12-21(13-17-28)26-20-10-14-27(15-11-20)23-5-3-2-4-22(23)25/h2-9,20-21,26H,10-17H2,1H3
InChIKeyOFEYWQGVDTVEPT-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.00
Rot. Bonds4

About [4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone

[4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 131939878) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is [4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID131939878
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name[4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(NC3CCN(c4ccccc4F)CC3)CC2)cc1
InChIInChI=1S/C24H30FN3O/c1-18-6-8-19(9-7-18)24(29)28-16-12-21(13-17-28)26-20-10-14-27(15-11-20)23-5-3-2-4-22(23)25/h2-9,20-21,26H,10-17H2,1H3
InChIKeyOFEYWQGVDTVEPT-UHFFFAOYSA-N
XLogP4.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

(4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone
CID 131931128
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
N-cyclohexyl-1-(2-fluorophenyl)piperidin-4-amine
CID 66872138
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
cis-(1S,2R)-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38765611
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone (CID 131939878) is [4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(NC3CCN(c4ccccc4F)CC3)CC2)cc1.
What is the InChIKey of [4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is OFEYWQGVDTVEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-18-6-8-19(9-7-18)24(29)28-16-12-21(13-17-28)26-20-10-14-27(15-11-20)23-5-3-2-4-22(23)25/h2-9,20-21,26H,10-17H2,1H3.
What are the key properties of [4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone?
[4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 395.52 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 131939878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).