[1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C29H31F2N3O — CID 42870479

IUPAC[1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCC(c2ccc(F)cc2)N(Cc2ccccc2)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C29H31F2N3O/c30-25-13-10-23(11-14-25)27-15-12-24(21-34(27)20-22-6-2-1-3-7-22)29(35)33-18-16-32(17-19-33)28-9-5-4-8-26(28)31/h1-11,13-14,24,27H,12,15-21H2
InChIKeyFAQPOLMPIINYED-UHFFFAOYSA-N
MW475.58 g/mol
LogP5.27
Rot. Bonds5

About [1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 42870479) has the molecular formula C29H31F2N3O and a molecular weight of 475.58 g/mol. Its IUPAC name is [1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID42870479
Molecular FormulaC29H31F2N3O
Molecular Weight475.58 g/mol
Exact Mass475.24
IUPAC Name[1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCC(c2ccc(F)cc2)N(Cc2ccccc2)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C29H31F2N3O/c30-25-13-10-23(11-14-25)27-15-12-24(21-34(27)20-22-6-2-1-3-7-22)29(35)33-18-16-32(17-19-33)28-9-5-4-8-26(28)31/h1-11,13-14,24,27H,12,15-21H2
InChIKeyFAQPOLMPIINYED-UHFFFAOYSA-N
XLogP5.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.58
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42868603
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90675575
[1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 42869813
[1-benzyl-4-[(2,4-difluorophenyl)methylamino]pyrrolidin-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 68722071
[1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50839482
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 171151326
N-benzyl-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide
CID 46069411
2,2,2-trifluoro-1-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110344243
N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109136049
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 43910492

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 42870479) is [1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CCC(c2ccc(F)cc2)N(Cc2ccccc2)C1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is FAQPOLMPIINYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N3O/c30-25-13-10-23(11-14-25)27-15-12-24(21-34(27)20-22-6-2-1-3-7-22)29(35)33-18-16-32(17-19-33)28-9-5-4-8-26(28)31/h1-11,13-14,24,27H,12,15-21H2.
What are the key properties of [1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 475.58 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 42870479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).