N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide

C16H23N3O2 — CID 119306958

IUPACN-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-12(20)18(2)14-8-10-19(11-9-14)16(21)15(17)13-6-4-3-5-7-13/h3-7,14-15H,8-11,17H2,1-2H3
InChIKeyVXUSEKSABZQCHX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.16
Rot. Bonds3

About N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide

N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 119306958) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide
PubChem CID119306958
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-12(20)18(2)14-8-10-19(11-9-14)16(21)15(17)13-6-4-3-5-7-13/h3-7,14-15H,8-11,17H2,1-2H3
InChIKeyVXUSEKSABZQCHX-UHFFFAOYSA-N
XLogP1.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
CID 62083998
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119297409
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
CID 86784489
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide (CID 119306958) is N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(C(=O)C(N)c2ccccc2)CC1.
What is the InChIKey of N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is VXUSEKSABZQCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(20)18(2)14-8-10-19(11-9-14)16(21)15(17)13-6-4-3-5-7-13/h3-7,14-15H,8-11,17H2,1-2H3.
What are the key properties of N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide?
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 289.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 119306958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).