(4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone

C32H37FN2O2S — CID 10119364

IUPAC(4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone
SMILESCC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc(S(=O)C(C)C)cc1
InChIInChI=1S/C32H37FN2O2S/c1-22(2)38(37)27-10-8-24(9-11-27)23(3)25-14-18-34(19-15-25)26-16-20-35(21-17-26)32(36)30-12-13-31(33)29-7-5-4-6-28(29)30/h4-13,22,26H,14-21H2,1-3H3
InChIKeyBERXHPPZKOVMEH-UHFFFAOYSA-N
MW532.73 g/mol
LogP6.67
Rot. Bonds5

About (4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone

(4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 10119364) has the molecular formula C32H37FN2O2S and a molecular weight of 532.73 g/mol. Its IUPAC name is (4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID10119364
Molecular FormulaC32H37FN2O2S
Molecular Weight532.73 g/mol
Exact Mass532.26
IUPAC Name(4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone
SMILESCC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc(S(=O)C(C)C)cc1
InChIInChI=1S/C32H37FN2O2S/c1-22(2)38(37)27-10-8-24(9-11-27)23(3)25-14-18-34(19-15-25)26-16-20-35(21-17-26)32(36)30-12-13-31(33)29-7-5-4-6-28(29)30/h4-13,22,26H,14-21H2,1-3H3
InChIKeyBERXHPPZKOVMEH-UHFFFAOYSA-N
XLogP6.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

{4-[1''-(Naphthalene-1-carbonyl)-[1,4'']bipiperidinyl-4-ylmethyl]-phenylsulfanyl}-acetic acid methyl ester
CID 44267748
(2S)-Piperazine, 4-[1-(2,6-dimethylbenzoyl)-4-methyl-4-piperidinyl]-2-methyl-1-[(1S)-1-[4-(methylsulfonyl)phenyl]ethyl]-
CID 484578
Naphthalen-1-yl-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
CID 44267782
[4-((R)-3-Methyl-4-{(S)-1-[4-(toluene-3-sulfonyl)-phenyl]-ethyl}-piperazin-1-yl)-piperidin-1-yl]-o-tolyl-methanone
CID 44378764
(4-Fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfonylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone
CID 10302719
(2,6-Dimethylphenyl)-[4-methyl-4-[4-[(4-methylsulfanylphenyl)methyl]-1-piperidyl]-1-piperidyl]methanone
CID 511296
(2,6-Dimethylphenyl)-[4-methyl-4-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]-1-piperidyl]methanone
CID 511307
N-[1-[3-(1-benzyl-4-piperidyl)-3-phenyl-propyl]-4-piperidyl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
CID 3011723
(4-Fluoronaphthalen-1-yl)-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
CID 44267693
(2-Phenylphenyl)-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
CID 44267694
2-[4-[[1-[1-(Naphthalene-1-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]phenyl]sulfanylacetamide
CID 44267703
Propan-2-yl 2-[4-[[1-[1-(naphthalene-1-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]phenyl]sulfanylacetate
CID 44267709

Frequently Asked Questions

What is the IUPAC name of (4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone (CID 10119364) is (4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone is CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc(S(=O)C(C)C)cc1.
What is the InChIKey of (4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is BERXHPPZKOVMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN2O2S/c1-22(2)38(37)27-10-8-24(9-11-27)23(3)25-14-18-34(19-15-25)26-16-20-35(21-17-26)32(36)30-12-13-31(33)29-7-5-4-6-28(29)30/h4-13,22,26H,14-21H2,1-3H3.
What are the key properties of (4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone?
(4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 532.73 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoronaphthalen-1-yl)-[4-[4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 10119364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).