1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide

C23H33F2N3O2 — CID 24647193

IUPAC1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CCCCCC1
InChIInChI=1S/C23H33F2N3O2/c1-27(2)23(11-5-3-4-6-12-23)16-26-21(29)17-9-13-28(14-10-17)22(30)19-8-7-18(24)15-20(19)25/h7-8,15,17H,3-6,9-14,16H2,1-2H3,(H,26,29)
InChIKeyPZSBOHNLWZJELM-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.59
Rot. Bonds5

About 1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide (PubChem CID 24647193) has the molecular formula C23H33F2N3O2 and a molecular weight of 421.53 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide
PubChem CID24647193
Molecular FormulaC23H33F2N3O2
Molecular Weight421.53 g/mol
Exact Mass421.25
IUPAC Name1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CCCCCC1
InChIInChI=1S/C23H33F2N3O2/c1-27(2)23(11-5-3-4-6-12-23)16-26-21(29)17-9-13-28(14-10-17)22(30)19-8-7-18(24)15-20(19)25/h7-8,15,17H,3-6,9-14,16H2,1-2H3,(H,26,29)
InChIKeyPZSBOHNLWZJELM-UHFFFAOYSA-N
XLogP3.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053
N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 78803343
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-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
1-(2,4-difluorobenzoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-4-carboxamide
CID 30992946
1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 24596971
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide (CID 24647193) is 1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide is CN(C)C1(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CCCCCC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide?
The InChIKey is PZSBOHNLWZJELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F2N3O2/c1-27(2)23(11-5-3-4-6-12-23)16-26-21(29)17-9-13-28(14-10-17)22(30)19-8-7-18(24)15-20(19)25/h7-8,15,17H,3-6,9-14,16H2,1-2H3,(H,26,29).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24647193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).