N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide

C15H20ClFN2O2 — CID 63905458

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide
SMILESO=C(CCOC1CCNCC1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H20ClFN2O2/c16-13-9-11(1-2-14(13)17)10-19-15(20)5-8-21-12-3-6-18-7-4-12/h1-2,9,12,18H,3-8,10H2,(H,19,20)
InChIKeyGOCHMFHKVLIEIU-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.25
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide

N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide (PubChem CID 63905458) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide
PubChem CID63905458
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide
SMILESO=C(CCOC1CCNCC1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H20ClFN2O2/c16-13-9-11(1-2-14(13)17)10-19-15(20)5-8-21-12-3-6-18-7-4-12/h1-2,9,12,18H,3-8,10H2,(H,19,20)
InChIKeyGOCHMFHKVLIEIU-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-4-yloxy-N-(pyridin-4-ylmethyl)propanamide
CID 63875784
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide
CID 60621030
3-piperidin-4-yloxy-N-(thiophen-3-ylmethyl)propanamide
CID 63905466
N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006866
N-(2,6-dichloro-4-fluorophenyl)-3-piperidin-4-yloxypropanamide
CID 83077626
3-piperidin-4-yloxy-N-(2,4,6-trichlorophenyl)propanamide
CID 63875787
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 103052354
N-[(3-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119707933
1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one
CID 114281145
N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide
CID 75437232
N-(2-chlorophenyl)-3-piperidin-4-yloxypropanamide
CID 63877513

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide (CID 63905458) is N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide is O=C(CCOC1CCNCC1)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide?
The InChIKey is GOCHMFHKVLIEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c16-13-9-11(1-2-14(13)17)10-19-15(20)5-8-21-12-3-6-18-7-4-12/h1-2,9,12,18H,3-8,10H2,(H,19,20).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide?
N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide has a molecular weight of 314.79 g/mol, XLogP of 2.25, 6 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)methyl]-3-piperidin-4-yloxypropanamide is sourced from PubChem (CID 63905458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).