[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone

C25H29ClN2O3 — CID 95097466

IUPAC[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1)N1CCCCC1
InChIInChI=1S/C25H29ClN2O3/c26-22-8-4-7-21(16-22)25(30)28-15-5-6-19(17-28)18-31-23-11-9-20(10-12-23)24(29)27-13-2-1-3-14-27/h4,7-12,16,19H,1-3,5-6,13-15,17-18H2/t19-/m1/s1
InChIKeyNCGQDGABTVSYPL-LJQANCHMSA-N
MW440.97 g/mol
LogP4.90
Rot. Bonds5

About [4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone

[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone (PubChem CID 95097466) has the molecular formula C25H29ClN2O3 and a molecular weight of 440.97 g/mol. Its IUPAC name is [4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
PubChem CID95097466
Molecular FormulaC25H29ClN2O3
Molecular Weight440.97 g/mol
Exact Mass440.19
IUPAC Name[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1)N1CCCCC1
InChIInChI=1S/C25H29ClN2O3/c26-22-8-4-7-21(16-22)25(30)28-15-5-6-19(17-28)18-31-23-11-9-20(10-12-23)24(29)27-13-2-1-3-14-27/h4,7-12,16,19H,1-3,5-6,13-15,17-18H2/t19-/m1/s1
InChIKeyNCGQDGABTVSYPL-LJQANCHMSA-N
XLogP4.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.97
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[3-[[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 92900752
[4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150363
4-[(3S)-3-[[3-(piperidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900771
4-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900885
[4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097554
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
[3-[[1-(2-chloro-5-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846654
[4-[[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097621
[4-[[(3R)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097584

Frequently Asked Questions

What is the IUPAC name of [4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone (CID 95097466) is [4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1)N1CCCCC1.
What is the InChIKey of [4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone?
The InChIKey is NCGQDGABTVSYPL-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29ClN2O3/c26-22-8-4-7-21(16-22)25(30)28-15-5-6-19(17-28)18-31-23-11-9-20(10-12-23)24(29)27-13-2-1-3-14-27/h4,7-12,16,19H,1-3,5-6,13-15,17-18H2/t19-/m1/s1.
What are the key properties of [4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone?
[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone has a molecular weight of 440.97 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 95097466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).