2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide

C21H27N3O — CID 119844839

IUPAC2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
SMILESCC1CCN(Cc2ccc(NC(=O)C(N)c3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3O/c1-16-11-13-24(14-12-16)15-17-7-9-19(10-8-17)23-21(25)20(22)18-5-3-2-4-6-18/h2-10,16,20H,11-15,22H2,1H3,(H,23,25)
InChIKeyKWDYCHBKMKJMFF-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.56
Rot. Bonds5

About 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide

2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide (PubChem CID 119844839) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
PubChem CID119844839
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
SMILESCC1CCN(Cc2ccc(NC(=O)C(N)c3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3O/c1-16-11-13-24(14-12-16)15-17-7-9-19(10-8-17)23-21(25)20(22)18-5-3-2-4-6-18/h2-10,16,20H,11-15,22H2,1H3,(H,23,25)
InChIKeyKWDYCHBKMKJMFF-UHFFFAOYSA-N
XLogP3.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylacetamide;dihydrochloride
CID 119872304
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 108760668
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 42962486
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946472
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55972376
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119845072
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide
CID 108737757

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide (CID 119844839) is 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide is CC1CCN(Cc2ccc(NC(=O)C(N)c3ccccc3)cc2)CC1.
What is the InChIKey of 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide?
The InChIKey is KWDYCHBKMKJMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-11-13-24(14-12-16)15-17-7-9-19(10-8-17)23-21(25)20(22)18-5-3-2-4-6-18/h2-10,16,20H,11-15,22H2,1H3,(H,23,25).
What are the key properties of 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide?
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide has a molecular weight of 337.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 119844839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).