N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

C26H33F2N3O2 — CID 30904401

IUPACN-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)Cc1ccccc1
InChIInChI=1S/C26H33F2N3O2/c1-3-30(4-2)22(16-19-8-6-5-7-9-19)18-29-25(32)20-12-14-31(15-13-20)26(33)23-11-10-21(27)17-24(23)28/h5-11,17,20,22H,3-4,12-16,18H2,1-2H3,(H,29,32)/t22-/m1/s1
InChIKeyGRAUPRJOWXUFJY-JOCHJYFZSA-N
MW457.57 g/mol
LogP3.89
Rot. Bonds9

About N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 30904401) has the molecular formula C26H33F2N3O2 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID30904401
Molecular FormulaC26H33F2N3O2
Molecular Weight457.57 g/mol
Exact Mass457.25
IUPAC NameN-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)Cc1ccccc1
InChIInChI=1S/C26H33F2N3O2/c1-3-30(4-2)22(16-19-8-6-5-7-9-19)18-29-25(32)20-12-14-31(15-13-20)26(33)23-11-10-21(27)17-24(23)28/h5-11,17,20,22H,3-4,12-16,18H2,1-2H3,(H,29,32)/t22-/m1/s1
InChIKeyGRAUPRJOWXUFJY-JOCHJYFZSA-N
XLogP3.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 24649842
N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46413875
1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 24640246
1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 24596971
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 41447922
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 46413986
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (CID 30904401) is N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is CCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)Cc1ccccc1.
What is the InChIKey of N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is GRAUPRJOWXUFJY-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H33F2N3O2/c1-3-30(4-2)22(16-19-8-6-5-7-9-19)18-29-25(32)20-12-14-31(15-13-20)26(33)23-11-10-21(27)17-24(23)28/h5-11,17,20,22H,3-4,12-16,18H2,1-2H3,(H,29,32)/t22-/m1/s1.
What are the key properties of N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 30904401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).