1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide

C15H18ClFN2O3 — CID 56812976

IUPAC1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCOc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H18ClFN2O3/c16-12-9-11(1-2-13(12)17)22-8-5-14(20)19-6-3-10(4-7-19)15(18)21/h1-2,9-10H,3-8H2,(H2,18,21)
InChIKeyCLBCTZWSDAPNCM-UHFFFAOYSA-N
MW328.77 g/mol
LogP1.97
Rot. Bonds5

About 1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide

1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide (PubChem CID 56812976) has the molecular formula C15H18ClFN2O3 and a molecular weight of 328.77 g/mol. Its IUPAC name is 1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide
PubChem CID56812976
Molecular FormulaC15H18ClFN2O3
Molecular Weight328.77 g/mol
Exact Mass328.10
IUPAC Name1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCOc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H18ClFN2O3/c16-12-9-11(1-2-13(12)17)22-8-5-14(20)19-6-3-10(4-7-19)15(18)21/h1-2,9-10H,3-8H2,(H2,18,21)
InChIKeyCLBCTZWSDAPNCM-UHFFFAOYSA-N
XLogP1.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide (CID 56812976) is 1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCOc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide?
The InChIKey is CLBCTZWSDAPNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O3/c16-12-9-11(1-2-13(12)17)22-8-5-14(20)19-6-3-10(4-7-19)15(18)21/h1-2,9-10H,3-8H2,(H2,18,21).
What are the key properties of 1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide?
1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide has a molecular weight of 328.77 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 56812976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).