N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide

C15H19ClF2N2O2 — CID 778166

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C15H19ClF2N2O2/c16-15(17,18)22-13-6-4-12(5-7-13)19-14(21)8-11-20-9-2-1-3-10-20/h4-7H,1-3,8-11H2,(H,19,21)
InChIKeyVVKWWKVILPKLNU-UHFFFAOYSA-N
MW332.78 g/mol
LogP3.67
Rot. Bonds6

About N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide

N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide (PubChem CID 778166) has the molecular formula C15H19ClF2N2O2 and a molecular weight of 332.78 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide
PubChem CID778166
Molecular FormulaC15H19ClF2N2O2
Molecular Weight332.78 g/mol
Exact Mass332.11
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C15H19ClF2N2O2/c16-15(17,18)22-13-6-4-12(5-7-13)19-14(21)8-11-20-9-2-1-3-10-20/h4-7H,1-3,8-11H2,(H,19,21)
InChIKeyVVKWWKVILPKLNU-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide (CID 778166) is N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)Nc1ccc(OC(F)(F)Cl)cc1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide?
The InChIKey is VVKWWKVILPKLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N2O2/c16-15(17,18)22-13-6-4-12(5-7-13)19-14(21)8-11-20-9-2-1-3-10-20/h4-7H,1-3,8-11H2,(H,19,21).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide has a molecular weight of 332.78 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 778166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).