[4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

C24H26ClFN2O3 — CID 95097554

IUPAC[4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)cc1)N1CCCC1
InChIInChI=1S/C24H26ClFN2O3/c25-20-6-3-7-21(26)22(20)24(30)28-14-4-5-17(15-28)16-31-19-10-8-18(9-11-19)23(29)27-12-1-2-13-27/h3,6-11,17H,1-2,4-5,12-16H2/t17-/m1/s1
InChIKeyWXPXWAZUPVSPAL-QGZVFWFLSA-N
MW444.93 g/mol
LogP4.65
Rot. Bonds5

About [4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

[4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 95097554) has the molecular formula C24H26ClFN2O3 and a molecular weight of 444.93 g/mol. Its IUPAC name is [4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID95097554
Molecular FormulaC24H26ClFN2O3
Molecular Weight444.93 g/mol
Exact Mass444.16
IUPAC Name[4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)cc1)N1CCCC1
InChIInChI=1S/C24H26ClFN2O3/c25-20-6-3-7-21(26)22(20)24(30)28-14-4-5-17(15-28)16-31-19-10-8-18(9-11-19)23(29)27-12-1-2-13-27/h3,6-11,17H,1-2,4-5,12-16H2/t17-/m1/s1
InChIKeyWXPXWAZUPVSPAL-QGZVFWFLSA-N
XLogP4.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.93
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 95097466
4-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097967
2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150037
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-6-fluorophenyl)methanone;hydrochloride
CID 119465104
[4-[[(3S)-1-(2-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 95097733
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
[3-[[1-(2-chloro-5-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846654

Frequently Asked Questions

What is the IUPAC name of [4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (CID 95097554) is [4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)cc1)N1CCCC1.
What is the InChIKey of [4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is WXPXWAZUPVSPAL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26ClFN2O3/c25-20-6-3-7-21(26)22(20)24(30)28-14-4-5-17(15-28)16-31-19-10-8-18(9-11-19)23(29)27-12-1-2-13-27/h3,6-11,17H,1-2,4-5,12-16H2/t17-/m1/s1.
What are the key properties of [4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 444.93 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95097554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).