N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C23H27F2N3O2 — CID 26011918

IUPACN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc(F)c1
InChIInChI=1S/C23H27F2N3O2/c1-27(2)21(18-4-3-5-20(25)14-18)15-26-22(29)16-10-12-28(13-11-16)23(30)17-6-8-19(24)9-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyIRAIFQMCNSUAFQ-NRFANRHFSA-N
MW415.48 g/mol
LogP3.24
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 26011918) has the molecular formula C23H27F2N3O2 and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID26011918
Molecular FormulaC23H27F2N3O2
Molecular Weight415.48 g/mol
Exact Mass415.21
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc(F)c1
InChIInChI=1S/C23H27F2N3O2/c1-27(2)21(18-4-3-5-20(25)14-18)15-26-22(29)16-10-12-28(13-11-16)23(30)17-6-8-19(24)9-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyIRAIFQMCNSUAFQ-NRFANRHFSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46684535
tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39956468
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17499690
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 34967946
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55499022
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55787308
1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 24640246
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-fluorophenyl)ethyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 24622024

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 26011918) is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is IRAIFQMCNSUAFQ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27F2N3O2/c1-27(2)21(18-4-3-5-20(25)14-18)15-26-22(29)16-10-12-28(13-11-16)23(30)17-6-8-19(24)9-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,26,29)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 26011918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).