[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone

C23H27FN2O — CID 146043610

IUPAC[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C23H27FN2O/c24-22-6-2-4-20(16-22)19-3-1-5-21(15-19)23(27)26-13-9-18(10-14-26)17-7-11-25-12-8-17/h1-6,15-18,25H,7-14H2
InChIKeyVWBRBBHEGHZCPX-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.34
Rot. Bonds3

About [3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone

[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone (PubChem CID 146043610) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is [3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone
PubChem CID146043610
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C23H27FN2O/c24-22-6-2-4-20(16-22)19-3-1-5-21(15-19)23(27)26-13-9-18(10-14-26)17-7-11-25-12-8-17/h1-6,15-18,25H,7-14H2
InChIKeyVWBRBBHEGHZCPX-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
[4-(3-fluorophenyl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 71032297
(4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone
CID 56906994
[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone
CID 23435892
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-[3-(3-fluorophenyl)phenyl]methanone
CID 72850012
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119710258
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone (CID 146043610) is [3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone is O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of [3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The InChIKey is VWBRBBHEGHZCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c24-22-6-2-4-20(16-22)19-3-1-5-21(15-19)23(27)26-13-9-18(10-14-26)17-7-11-25-12-8-17/h1-6,15-18,25H,7-14H2.
What are the key properties of [3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone?
[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone has a molecular weight of 366.48 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 146043610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).