2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide

C26H35N2O+ — CID 2077620

IUPAC2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC1([NH+]2CCCCC2)CCCCC1
InChIInChI=1S/C26H34N2O/c29-25(20-22-12-14-24(15-13-22)23-10-4-1-5-11-23)27-21-26(16-6-2-7-17-26)28-18-8-3-9-19-28/h1,4-5,10-15H,2-3,6-9,16-21H2,(H,27,29)/p+1
InChIKeyNWFOQLOBWYCSMF-UHFFFAOYSA-O
MW391.58 g/mol
LogP3.78
Rot. Bonds6

About 2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide

2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide (PubChem CID 2077620) has the molecular formula C26H35N2O+ and a molecular weight of 391.58 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
PubChem CID2077620
Molecular FormulaC26H35N2O+
Molecular Weight391.58 g/mol
Exact Mass391.27
IUPAC Name2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC1([NH+]2CCCCC2)CCCCC1
InChIInChI=1S/C26H34N2O/c29-25(20-22-12-14-24(15-13-22)23-10-4-1-5-11-23)27-21-26(16-6-2-7-17-26)28-18-8-3-9-19-28/h1,4-5,10-15H,2-3,6-9,16-21H2,(H,27,29)/p+1
InChIKeyNWFOQLOBWYCSMF-UHFFFAOYSA-O
XLogP3.78
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
CID 2481504
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
CID 7831409
2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
CID 7745887
N-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-phenylacetamide
CID 142097923
N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide
CID 9328554
4-(1,3-dithiolan-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
CID 7831623
2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91779095
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 119564798
4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]butanamide
CID 9112477
4-methylsulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
CID 2579925
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide (CID 2077620) is 2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCC1([NH+]2CCCCC2)CCCCC1.
What is the InChIKey of 2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is NWFOQLOBWYCSMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H34N2O/c29-25(20-22-12-14-24(15-13-22)23-10-4-1-5-11-23)27-21-26(16-6-2-7-17-26)28-18-8-3-9-19-28/h1,4-5,10-15H,2-3,6-9,16-21H2,(H,27,29)/p+1.
What are the key properties of 2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide?
2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 391.58 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 2077620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).