N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide

C14H18ClFN2O2 — CID 91835836

IUPACN-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
SMILESO=C(CCN1CCCC(O)C1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O2/c15-12-8-10(3-4-13(12)16)17-14(20)5-7-18-6-1-2-11(19)9-18/h3-4,8,11,19H,1-2,5-7,9H2,(H,17,20)
InChIKeyZGRJCALPNDUSCA-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.26
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide

N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide (PubChem CID 91835836) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
PubChem CID91835836
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
SMILESO=C(CCN1CCCC(O)C1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O2/c15-12-8-10(3-4-13(12)16)17-14(20)5-7-18-6-1-2-11(19)9-18/h3-4,8,11,19H,1-2,5-7,9H2,(H,17,20)
InChIKeyZGRJCALPNDUSCA-UHFFFAOYSA-N
XLogP2.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide (CID 91835836) is N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide is O=C(CCN1CCCC(O)C1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide?
The InChIKey is ZGRJCALPNDUSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c15-12-8-10(3-4-13(12)16)17-14(20)5-7-18-6-1-2-11(19)9-18/h3-4,8,11,19H,1-2,5-7,9H2,(H,17,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide has a molecular weight of 300.76 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(3-hydroxypiperidin-1-yl)propanamide is sourced from PubChem (CID 91835836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).