2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone

C19H27ClN2O2 — CID 90616293

IUPAC2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCOC1CCN(C2CCN(C(=O)Cc3ccccc3Cl)CC2)CC1
InChIInChI=1S/C19H27ClN2O2/c1-24-17-8-12-21(13-9-17)16-6-10-22(11-7-16)19(23)14-15-4-2-3-5-18(15)20/h2-5,16-17H,6-14H2,1H3
InChIKeySAKMTFMDJMKDNN-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.98
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone (PubChem CID 90616293) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
PubChem CID90616293
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCOC1CCN(C2CCN(C(=O)Cc3ccccc3Cl)CC2)CC1
InChIInChI=1S/C19H27ClN2O2/c1-24-17-8-12-21(13-9-17)16-6-10-22(11-7-16)19(23)14-15-4-2-3-5-18(15)20/h2-5,16-17H,6-14H2,1H3
InChIKeySAKMTFMDJMKDNN-UHFFFAOYSA-N
XLogP2.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138
3-(2-bromophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90616380
2-(2-chlorophenyl)-1-[4-(1-methylpiperidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 138382667
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid
CID 63869215
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90616344
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
1-(3-bromopyrrolidin-1-yl)-2-(2-chlorophenyl)ethanone
CID 80677513
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
CID 69040986
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone (CID 90616293) is 2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone is COC1CCN(C2CCN(C(=O)Cc3ccccc3Cl)CC2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is SAKMTFMDJMKDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-24-17-8-12-21(13-9-17)16-6-10-22(11-7-16)19(23)14-15-4-2-3-5-18(15)20/h2-5,16-17H,6-14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 350.89 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 90616293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).