N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C21H23ClFN3O2 — CID 55700862

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23ClFN3O2/c1-25(2)19-17(22)4-3-5-18(19)24-20(27)14-10-12-26(13-11-14)21(28)15-6-8-16(23)9-7-15/h3-9,14H,10-13H2,1-2H3,(H,24,27)
InChIKeyPCVVGTROXQENLR-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.04
Rot. Bonds4

About N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 55700862) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID55700862
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23ClFN3O2/c1-25(2)19-17(22)4-3-5-18(19)24-20(27)14-10-12-26(13-11-14)21(28)15-6-8-16(23)9-7-15/h3-9,14H,10-13H2,1-2H3,(H,24,27)
InChIKeyPCVVGTROXQENLR-UHFFFAOYSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 55762993
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46485417
1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 51218219
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide
CID 17223933
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 35106489
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-(4-fluorobenzoyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17224013
1-(4-fluorobenzoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123213
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 55700862) is N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is CN(C)c1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is PCVVGTROXQENLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c1-25(2)19-17(22)4-3-5-18(19)24-20(27)14-10-12-26(13-11-14)21(28)15-6-8-16(23)9-7-15/h3-9,14H,10-13H2,1-2H3,(H,24,27).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55700862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).