methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate

C22H26N2O3 — CID 50979607

IUPACmethyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate
SMILESCOC(=O)C(NC1CCN(C(=O)c2ccccc2)CC1)c1cccc(C)c1
InChIInChI=1S/C22H26N2O3/c1-16-7-6-10-18(15-16)20(22(26)27-2)23-19-11-13-24(14-12-19)21(25)17-8-4-3-5-9-17/h3-10,15,19-20,23H,11-14H2,1-2H3
InChIKeyVJRFDQIVKLRLGS-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.10
Rot. Bonds5

About methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate

methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate (PubChem CID 50979607) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate
PubChem CID50979607
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namemethyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate
SMILESCOC(=O)C(NC1CCN(C(=O)c2ccccc2)CC1)c1cccc(C)c1
InChIInChI=1S/C22H26N2O3/c1-16-7-6-10-18(15-16)20(22(26)27-2)23-19-11-13-24(14-12-19)21(25)17-8-4-3-5-9-17/h3-10,15,19-20,23H,11-14H2,1-2H3
InChIKeyVJRFDQIVKLRLGS-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
(2R)-2-methoxy-2-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 52512778
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840457
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide
CID 90380541
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
CID 60998889

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate?
The IUPAC name of methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate (CID 50979607) is methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate.
What is the SMILES notation for methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate?
The canonical SMILES for methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate is COC(=O)C(NC1CCN(C(=O)c2ccccc2)CC1)c1cccc(C)c1.
What is the InChIKey of methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate?
The InChIKey is VJRFDQIVKLRLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-7-6-10-18(15-16)20(22(26)27-2)23-19-11-13-24(14-12-19)21(25)17-8-4-3-5-9-17/h3-10,15,19-20,23H,11-14H2,1-2H3.
What are the key properties of methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate?
methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate has a molecular weight of 366.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate is sourced from PubChem (CID 50979607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).