N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

C25H31F2N3O2 — CID 24649842

IUPACN-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1
InChIInChI=1S/C25H31F2N3O2/c1-3-29(4-2)23(18-8-6-5-7-9-18)17-28-24(31)19-12-14-30(15-13-19)25(32)21-11-10-20(26)16-22(21)27/h5-11,16,19,23H,3-4,12-15,17H2,1-2H3,(H,28,31)
InChIKeyNUWMYUBNGVGPCY-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.02
Rot. Bonds8

About N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 24649842) has the molecular formula C25H31F2N3O2 and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID24649842
Molecular FormulaC25H31F2N3O2
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1
InChIInChI=1S/C25H31F2N3O2/c1-3-29(4-2)23(18-8-6-5-7-9-18)17-28-24(31)19-12-14-30(15-13-19)25(32)21-11-10-20(26)16-22(21)27/h5-11,16,19,23H,3-4,12-15,17H2,1-2H3,(H,28,31)
InChIKeyNUWMYUBNGVGPCY-UHFFFAOYSA-N
XLogP4.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30904401
1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 24640246
N-[(2S)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27800316
N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27800313
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55376976
1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 24596971
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (CID 24649842) is N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is CCN(CC)C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is NUWMYUBNGVGPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N3O2/c1-3-29(4-2)23(18-8-6-5-7-9-18)17-28-24(31)19-12-14-30(15-13-19)25(32)21-11-10-20(26)16-22(21)27/h5-11,16,19,23H,3-4,12-15,17H2,1-2H3,(H,28,31).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 24649842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).