2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone

C24H28F2N2O2 — CID 56546226

IUPAC2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1)c1ccccc1
InChIInChI=1S/C24H28F2N2O2/c1-3-27(4-2)22(17-8-6-5-7-9-17)24(30)28-14-12-18(13-15-28)23(29)20-16-19(25)10-11-21(20)26/h5-11,16,18,22H,3-4,12-15H2,1-2H3
InChIKeyMDNADQOSCSRFAB-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.47
Rot. Bonds7

About 2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone

2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 56546226) has the molecular formula C24H28F2N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone
PubChem CID56546226
Molecular FormulaC24H28F2N2O2
Molecular Weight414.50 g/mol
Exact Mass414.21
IUPAC Name2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1)c1ccccc1
InChIInChI=1S/C24H28F2N2O2/c1-3-27(4-2)22(17-8-6-5-7-9-17)24(30)28-14-12-18(13-15-28)23(29)20-16-19(25)10-11-21(20)26/h5-11,16,18,22H,3-4,12-15H2,1-2H3
InChIKeyMDNADQOSCSRFAB-UHFFFAOYSA-N
XLogP4.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone
CID 56540565
N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 24649842
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 55738106
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide
CID 51119993
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide
CID 55739387
1-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-4-methylpentan-1-one
CID 56552712
(3R)-1-[(2S)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 125148409
2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56550201
3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 75404213
2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 56540726
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone (CID 56546226) is 2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone is CCN(CC)C(C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is MDNADQOSCSRFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O2/c1-3-27(4-2)22(17-8-6-5-7-9-17)24(30)28-14-12-18(13-15-28)23(29)20-16-19(25)10-11-21(20)26/h5-11,16,18,22H,3-4,12-15H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone?
2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 414.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 56546226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).