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

C22H27F2N2O2+ — CID 8558326

IUPACN-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](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)/p+1/t21-/m1/s1
InChIKeyXEFSQSKEESBFHW-OAQYLSRUSA-O
MW389.47 g/mol
LogP2.81
Rot. Bonds7

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

N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide (PubChem CID 8558326) has the molecular formula C22H27F2N2O2+ and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
PubChem CID8558326
Molecular FormulaC22H27F2N2O2+
Molecular Weight389.47 g/mol
Exact Mass389.20
IUPAC NameN-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](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)/p+1/t21-/m1/s1
InChIKeyXEFSQSKEESBFHW-OAQYLSRUSA-O
XLogP2.81
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558327
2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide
CID 9342283
N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 7406184
[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 9202083
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] propanoate
CID 9015107
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide
CID 9012238
[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
1-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557491
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24586565
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597044
methyl 1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8742588

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide (CID 8558326) is N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide is CC1CC[NH+](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-ium-1-yl)acetamide?
The InChIKey is XEFSQSKEESBFHW-OAQYLSRUSA-O. 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)/p+1/t21-/m1/s1.
What are the key properties of N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 389.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8558326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).