1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide

C17H22ClFN2O2 — CID 46948202

IUPAC1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCCN(C(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C17H22ClFN2O2/c1-3-8-20-16(23)17(2)7-4-9-21(11-17)15(22)13-6-5-12(19)10-14(13)18/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,20,23)
InChIKeyBOBYHZRRDMJRRU-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide

1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide (PubChem CID 46948202) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide
PubChem CID46948202
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC Name1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCCN(C(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C17H22ClFN2O2/c1-3-8-20-16(23)17(2)7-4-9-21(11-17)15(22)13-6-5-12(19)10-14(13)18/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,20,23)
InChIKeyBOBYHZRRDMJRRU-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide (CID 46948202) is 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1(C)CCCN(C(=O)c2ccc(F)cc2Cl)C1.
What is the InChIKey of 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide?
The InChIKey is BOBYHZRRDMJRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c1-3-8-20-16(23)17(2)7-4-9-21(11-17)15(22)13-6-5-12(19)10-14(13)18/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,20,23).
What are the key properties of 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide?
1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide has a molecular weight of 340.83 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 46948202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).