(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone

C24H27ClN2O3 — CID 91800796

IUPAC(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(C(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1
InChIInChI=1S/C24H27ClN2O3/c25-21-8-4-5-9-22(21)30-20-12-16-27(17-13-20)24(29)19-10-14-26(15-11-19)23(28)18-6-2-1-3-7-18/h1-9,19-20H,10-17H2
InChIKeyVCPPFEWNPQWGIY-UHFFFAOYSA-N
MW426.94 g/mol
LogP4.26
Rot. Bonds4

About (1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone

(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone (PubChem CID 91800796) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is (1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
PubChem CID91800796
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(C(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1
InChIInChI=1S/C24H27ClN2O3/c25-21-8-4-5-9-22(21)30-20-12-16-27(17-13-20)24(29)19-10-14-26(15-11-19)23(28)18-6-2-1-3-7-18/h1-9,19-20H,10-17H2
InChIKeyVCPPFEWNPQWGIY-UHFFFAOYSA-N
XLogP4.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde
CID 167146390
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97112468
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 70718116
(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 95861244
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 75388459
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 33323564
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 70744636
N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide
CID 44577727
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of (1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone (CID 91800796) is (1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC(C(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1.
What is the InChIKey of (1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone?
The InChIKey is VCPPFEWNPQWGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c25-21-8-4-5-9-22(21)30-20-12-16-27(17-13-20)24(29)19-10-14-26(15-11-19)23(28)18-6-2-1-3-7-18/h1-9,19-20H,10-17H2.
What are the key properties of (1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone?
(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone has a molecular weight of 426.94 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 91800796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).