N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide

C22H27N2O2+ — CID 7411522

IUPACN-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide
SMILESCc1ccc(C(=O)C[NH+]2CCC(NC(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-17-7-9-19(10-8-17)21(25)16-24-13-11-20(12-14-24)23-22(26)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,26)/p+1
InChIKeyZCIJPTXKFYVUNS-UHFFFAOYSA-O
MW351.47 g/mol
LogP1.58
Rot. Bonds6

About N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide

N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide (PubChem CID 7411522) has the molecular formula C22H27N2O2+ and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide
PubChem CID7411522
Molecular FormulaC22H27N2O2+
Molecular Weight351.47 g/mol
Exact Mass351.21
IUPAC NameN-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide
SMILESCc1ccc(C(=O)C[NH+]2CCC(NC(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-17-7-9-19(10-8-17)21(25)16-24-13-11-20(12-14-24)23-22(26)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,26)/p+1
InChIKeyZCIJPTXKFYVUNS-UHFFFAOYSA-O
XLogP1.58
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-phenylacetamide
CID 5175687
N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide
CID 9208935
1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea
CID 7411593
[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641765
ethyl 1-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8773087
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 9488628
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 9488626
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112990904
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide
CID 9091098

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide (CID 7411522) is N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide is Cc1ccc(C(=O)C[NH+]2CCC(NC(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide?
The InChIKey is ZCIJPTXKFYVUNS-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N2O2/c1-17-7-9-19(10-8-17)21(25)16-24-13-11-20(12-14-24)23-22(26)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,26)/p+1.
What are the key properties of N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide?
N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide has a molecular weight of 351.47 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide is sourced from PubChem (CID 7411522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).