2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone

C25H32N2O3 — CID 56540565

IUPAC2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H32N2O3/c1-4-26(5-2)23(19-9-7-6-8-10-19)25(29)27-17-15-21(16-18-27)24(28)20-11-13-22(30-3)14-12-20/h6-14,21,23H,4-5,15-18H2,1-3H3
InChIKeyDAQREPFUKSBNLG-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.20
Rot. Bonds8

About 2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone

2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 56540565) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone
PubChem CID56540565
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H32N2O3/c1-4-26(5-2)23(19-9-7-6-8-10-19)25(29)27-17-15-21(16-18-27)24(28)20-11-13-22(30-3)14-12-20/h6-14,21,23H,4-5,15-18H2,1-3H3
InChIKeyDAQREPFUKSBNLG-UHFFFAOYSA-N
XLogP4.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 56546226
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 33366690
(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one
CID 55909786
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 41307290
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
2-(diethylamino)-1-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 56552747
2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56550201
2-[ethyl-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]-N-(3-methoxyphenyl)acetamide
CID 112796758

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone (CID 56540565) is 2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone is CCN(CC)C(C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is DAQREPFUKSBNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-4-26(5-2)23(19-9-7-6-8-10-19)25(29)27-17-15-21(16-18-27)24(28)20-11-13-22(30-3)14-12-20/h6-14,21,23H,4-5,15-18H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone?
2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 408.54 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 56540565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).