N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide

C21H23ClF2N2O — CID 23723736

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClF2N2O/c22-17-7-3-16(4-8-17)13-26-11-1-2-18(14-26)25-21(27)10-6-15-5-9-19(23)20(24)12-15/h3-5,7-9,12,18H,1-2,6,10-11,13-14H2,(H,25,27)
InChIKeyFQKJKMWESNDLFE-UHFFFAOYSA-N
MW392.88 g/mol
LogP4.33
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide (PubChem CID 23723736) has the molecular formula C21H23ClF2N2O and a molecular weight of 392.88 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide
PubChem CID23723736
Molecular FormulaC21H23ClF2N2O
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClF2N2O/c22-17-7-3-16(4-8-17)13-26-11-1-2-18(14-26)25-21(27)10-6-15-5-9-19(23)20(24)12-15/h3-5,7-9,12,18H,1-2,6,10-11,13-14H2,(H,25,27)
InChIKeyFQKJKMWESNDLFE-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide (CID 23723736) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide is O=C(CCc1ccc(F)c(F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide?
The InChIKey is FQKJKMWESNDLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF2N2O/c22-17-7-3-16(4-8-17)13-26-11-1-2-18(14-26)25-21(27)10-6-15-5-9-19(23)20(24)12-15/h3-5,7-9,12,18H,1-2,6,10-11,13-14H2,(H,25,27).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide has a molecular weight of 392.88 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 23723736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).