[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone

C18H28N2O2 — CID 142332387

IUPAC[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-5-19(6-2)16-9-11-20(12-10-16)18(21)15-8-7-14(3)17(13-15)22-4/h7-8,13,16H,5-6,9-12H2,1-4H3
InChIKeyFEQHPECEQAKDJS-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.95
Rot. Bonds5

About [4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone

[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone (PubChem CID 142332387) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
PubChem CID142332387
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-5-19(6-2)16-9-11-20(12-10-16)18(21)15-8-7-14(3)17(13-15)22-4/h7-8,13,16H,5-6,9-12H2,1-4H3
InChIKeyFEQHPECEQAKDJS-UHFFFAOYSA-N
XLogP2.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 110441411
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 115746621
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 114802000
[4-(3,5-difluorobenzoyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55808045
(3-amino-4-bromophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 61115958
1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119736818
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
(3-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 63393366

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of [4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone (CID 142332387) is [4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone is CCN(CC)C1CCN(C(=O)c2ccc(C)c(OC)c2)CC1.
What is the InChIKey of [4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is FEQHPECEQAKDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-19(6-2)16-9-11-20(12-10-16)18(21)15-8-7-14(3)17(13-15)22-4/h7-8,13,16H,5-6,9-12H2,1-4H3.
What are the key properties of [4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 304.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 142332387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).