N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C23H28FN3O2 — CID 51153656

IUPACN-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCN(C)C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H28FN3O2/c1-26(2)21(17-6-4-3-5-7-17)16-25-22(28)18-12-14-27(15-13-18)23(29)19-8-10-20(24)11-9-19/h3-11,18,21H,12-16H2,1-2H3,(H,25,28)
InChIKeyDULHWVMUAQAUFK-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.10
Rot. Bonds6

About N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 51153656) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID51153656
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCN(C)C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H28FN3O2/c1-26(2)21(17-6-4-3-5-7-17)16-25-22(28)18-12-14-27(15-13-18)23(29)19-8-10-20(24)11-9-19/h3-11,18,21H,12-16H2,1-2H3,(H,25,28)
InChIKeyDULHWVMUAQAUFK-UHFFFAOYSA-N
XLogP3.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26011918
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17499690
N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 24649842
1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 27772471
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55499022
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 24640246
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46684535
N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55484095
1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830387
tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39956468
N-(2-amino-2-phenylethyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119527413

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 51153656) is N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is CN(C)C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is DULHWVMUAQAUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-26(2)21(17-6-4-3-5-7-17)16-25-22(28)18-12-14-27(15-13-18)23(29)19-8-10-20(24)11-9-19/h3-11,18,21H,12-16H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 51153656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).