(4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone

C33H33FN2O — CID 70203335

IUPAC(4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)c2ccccc12)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C33H33FN2O/c34-32-16-15-30(28-13-7-8-14-29(28)32)33(37)36-22-27(31(23-36)26-11-5-2-6-12-26)21-35-19-17-25(18-20-35)24-9-3-1-4-10-24/h1-16,25,27,31H,17-23H2
InChIKeyJFIKMQGLTZSBPF-UHFFFAOYSA-N
MW492.64 g/mol
LogP6.71
Rot. Bonds5

About (4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone

(4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 70203335) has the molecular formula C33H33FN2O and a molecular weight of 492.64 g/mol. Its IUPAC name is (4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID70203335
Molecular FormulaC33H33FN2O
Molecular Weight492.64 g/mol
Exact Mass492.26
IUPAC Name(4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)c2ccccc12)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C33H33FN2O/c34-32-16-15-30(28-13-7-8-14-29(28)32)33(37)36-22-27(31(23-36)26-11-5-2-6-12-26)21-35-19-17-25(18-20-35)24-9-3-1-4-10-24/h1-16,25,27,31H,17-23H2
InChIKeyJFIKMQGLTZSBPF-UHFFFAOYSA-N
XLogP6.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.64
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 70272512
1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70204070
naphthalen-1-yl-[(3R,4R)-3-[(4-phenylpiperidin-1-yl)methyl]-4-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 20694266
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 70203150
(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200360
furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200803
[(3R,4R)-3-[[4-(3,4-difluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 142015424
(3,4-dichlorophenyl)-[3-(3,4-difluorophenyl)-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70271177
[3-[(4-benzylpiperazin-1-yl)methyl]-4-phenylpyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 70200614
[(4S)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-methylpyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 59923154
(2,3-difluorophenyl)-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-(furan-3-yl)pyrrolidin-1-yl]methanone
CID 18364861
(2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 92991583

Frequently Asked Questions

What is the IUPAC name of (4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 70203335) is (4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone is O=C(c1ccc(F)c2ccccc12)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1.
What is the InChIKey of (4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is JFIKMQGLTZSBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN2O/c34-32-16-15-30(28-13-7-8-14-29(28)32)33(37)36-22-27(31(23-36)26-11-5-2-6-12-26)21-35-19-17-25(18-20-35)24-9-3-1-4-10-24/h1-16,25,27,31H,17-23H2.
What are the key properties of (4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
(4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 492.64 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70203335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).