1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide

C16H22ClFN2O — CID 25249320

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H22ClFN2O/c1-2-8-19-16(21)12-6-9-20(10-7-12)11-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11H2,1H3,(H,19,21)
InChIKeyKIZVIHJDMWKIEQ-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.22
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide (PubChem CID 25249320) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide
PubChem CID25249320
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H22ClFN2O/c1-2-8-19-16(21)12-6-9-20(10-7-12)11-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11H2,1H3,(H,19,21)
InChIKeyKIZVIHJDMWKIEQ-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide (CID 25249320) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is KIZVIHJDMWKIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-2-8-19-16(21)12-6-9-20(10-7-12)11-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11H2,1H3,(H,19,21).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 312.82 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 25249320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).