[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone

C26H31FN2O3 — CID 95097674

IUPAC[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(OC[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc2)CC1
InChIInChI=1S/C26H31FN2O3/c1-19-12-15-28(16-13-19)25(30)22-6-10-24(11-7-22)32-18-20-3-2-14-29(17-20)26(31)21-4-8-23(27)9-5-21/h4-11,19-20H,2-3,12-18H2,1H3/t20-/m0/s1
InChIKeyYUSAOVQBQNQVIZ-FQEVSTJZSA-N
MW438.54 g/mol
LogP4.63
Rot. Bonds5

About [4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone

[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 95097674) has the molecular formula C26H31FN2O3 and a molecular weight of 438.54 g/mol. Its IUPAC name is [4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID95097674
Molecular FormulaC26H31FN2O3
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC Name[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(OC[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc2)CC1
InChIInChI=1S/C26H31FN2O3/c1-19-12-15-28(16-13-19)25(30)22-6-10-24(11-7-22)32-18-20-3-2-14-29(17-20)26(31)21-4-8-23(27)9-5-21/h4-11,19-20H,2-3,12-18H2,1H3/t20-/m0/s1
InChIKeyYUSAOVQBQNQVIZ-FQEVSTJZSA-N
XLogP4.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
(4-methylpiperidin-1-yl)-[4-[[1-(thiophene-3-carbonyl)piperidin-3-yl]methoxy]phenyl]methanone
CID 53150128
[(3S)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95097684
[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-5-yl]methanone
CID 51872878
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
2,1,3-benzoxadiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70719761
(4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone
CID 95169844
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[3-(hydroxymethyl)phenyl]methanone
CID 95885966
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393

Frequently Asked Questions

What is the IUPAC name of [4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 95097674) is [4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(OC[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc2)CC1.
What is the InChIKey of [4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is YUSAOVQBQNQVIZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H31FN2O3/c1-19-12-15-28(16-13-19)25(30)22-6-10-24(11-7-22)32-18-20-3-2-14-29(17-20)26(31)21-4-8-23(27)9-5-21/h4-11,19-20H,2-3,12-18H2,1H3/t20-/m0/s1.
What are the key properties of [4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 438.54 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 95097674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).