1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide

C17H22ClFN2O2 — CID 113002767

IUPAC1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H22ClFN2O2/c1-11(2)10-20-16(22)12-6-8-21(9-7-12)17(23)15-13(18)4-3-5-14(15)19/h3-5,11-12H,6-10H2,1-2H3,(H,20,22)
InChIKeyZCHYMWRXWIDYIF-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.10
Rot. Bonds4

About 1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide

1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 113002767) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID113002767
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC Name1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H22ClFN2O2/c1-11(2)10-20-16(22)12-6-8-21(9-7-12)17(23)15-13(18)4-3-5-14(15)19/h3-5,11-12H,6-10H2,1-2H3,(H,20,22)
InChIKeyZCHYMWRXWIDYIF-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)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

1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006619
1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 113003080
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108567332
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110821572
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108567322
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
[3-(bromomethyl)pyrrolidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80667434
4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365561
(2S)-2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119756666
N-[[(3S)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95315280
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide (CID 113002767) is 1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(C(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is ZCHYMWRXWIDYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c1-11(2)10-20-16(22)12-6-8-21(9-7-12)17(23)15-13(18)4-3-5-14(15)19/h3-5,11-12H,6-10H2,1-2H3,(H,20,22).
What are the key properties of 1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 340.83 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 113002767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).