N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide

C22H26F2N2O2 — CID 8558327

IUPACN-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C22H26F2N2O2/c1-16-11-13-26(14-12-16)15-20(27)25-21(17-5-3-2-4-6-17)18-7-9-19(10-8-18)28-22(23)24/h2-10,16,21-22H,11-15H2,1H3,(H,25,27)/t21-/m1/s1
InChIKeyXEFSQSKEESBFHW-OAQYLSRUSA-N
MW388.46 g/mol
LogP4.23
Rot. Bonds7

About N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide

N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 8558327) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID8558327
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C22H26F2N2O2/c1-16-11-13-26(14-12-16)15-20(27)25-21(17-5-3-2-4-6-17)18-7-9-19(10-8-18)28-22(23)24/h2-10,16,21-22H,11-15H2,1H3,(H,25,27)/t21-/m1/s1
InChIKeyXEFSQSKEESBFHW-OAQYLSRUSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557491
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8558326
2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide
CID 9342283
N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681889
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 100678867
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide
CID 9012238
ethyl 1-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8718915
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24586565
[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 9202083
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] propanoate
CID 9015107
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 9230220
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914596

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide (CID 8558327) is N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is XEFSQSKEESBFHW-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-16-11-13-26(14-12-16)15-20(27)25-21(17-5-3-2-4-6-17)18-7-9-19(10-8-18)28-22(23)24/h2-10,16,21-22H,11-15H2,1H3,(H,25,27)/t21-/m1/s1.
What are the key properties of N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 388.46 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 8558327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).