N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide

C21H27N3O2 — CID 91675368

IUPACN-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(N)ccc2N2CCCCC2C)c1
InChIInChI=1S/C21H27N3O2/c1-15-6-5-8-18(12-15)26-14-21(25)23-19-13-17(22)9-10-20(19)24-11-4-3-7-16(24)2/h5-6,8-10,12-13,16H,3-4,7,11,14,22H2,1-2H3,(H,23,25)
InChIKeyGMXGFOGELMRJAM-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.97
Rot. Bonds5

About N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide

N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 91675368) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide
PubChem CID91675368
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(N)ccc2N2CCCCC2C)c1
InChIInChI=1S/C21H27N3O2/c1-15-6-5-8-18(12-15)26-14-21(25)23-19-13-17(22)9-10-20(19)24-11-4-3-7-16(24)2/h5-6,8-10,12-13,16H,3-4,7,11,14,22H2,1-2H3,(H,23,25)
InChIKeyGMXGFOGELMRJAM-UHFFFAOYSA-N
XLogP3.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide
CID 100803137
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 100803144
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 75413856
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
CID 100803229
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
CID 100803206
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 100803176
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 100803208
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 91675412
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide
CID 100803151
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
CID 100803211

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide (CID 91675368) is N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(N)ccc2N2CCCCC2C)c1.
What is the InChIKey of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is GMXGFOGELMRJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-6-5-8-18(12-15)26-14-21(25)23-19-13-17(22)9-10-20(19)24-11-4-3-7-16(24)2/h5-6,8-10,12-13,16H,3-4,7,11,14,22H2,1-2H3,(H,23,25).
What are the key properties of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide?
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 91675368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).