(2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide

C17H23F2N3O2 — CID 138017230

IUPAC(2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)cc1
InChIInChI=1S/C17H23F2N3O2/c1-21(2)13-8-6-12(7-9-13)17(24)22-10-4-3-5-14(22)16(23)20-11-15(18)19/h6-9,14-15H,3-5,10-11H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyRMCFOQFQQOSQRI-AWEZNQCLSA-N
MW339.39 g/mol
LogP2.13
Rot. Bonds5

About (2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide

(2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide (PubChem CID 138017230) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide
PubChem CID138017230
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name(2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)cc1
InChIInChI=1S/C17H23F2N3O2/c1-21(2)13-8-6-12(7-9-13)17(24)22-10-4-3-5-14(22)16(23)20-11-15(18)19/h6-9,14-15H,3-5,10-11H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyRMCFOQFQQOSQRI-AWEZNQCLSA-N
XLogP2.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 15320435
[2-(bromomethyl)azepan-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 116639422
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide
CID 7496289
1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide
CID 120654985
[4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 110744503
1-[(3aS,9aR)-4-[4-(dimethylamino)benzoyl]-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-1-yl]ethanone
CID 110136247
(2R)-1-(4-bromobenzoyl)-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-2-carboxamide
CID 52831006
1-(4-bromobenzoyl)-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 47091441
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclohexanecarboxamide
CID 43956108
(2S)-1-[4-[methyl(propyl)amino]benzoyl]pyrrolidine-2-carboxylic acid
CID 119366172
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 25347508
1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
CID 112823538

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide (CID 138017230) is (2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide is CN(C)c1ccc(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)cc1.
What is the InChIKey of (2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide?
The InChIKey is RMCFOQFQQOSQRI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-21(2)13-8-6-12(7-9-13)17(24)22-10-4-3-5-14(22)16(23)20-11-15(18)19/h6-9,14-15H,3-5,10-11H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide?
(2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide is sourced from PubChem (CID 138017230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).