N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide

C15H23N3O3 — CID 61406482

IUPACN-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCOc1cc(N)ccc1NC(=O)CN1CCCCC1CO
InChIInChI=1S/C15H23N3O3/c1-21-14-8-11(16)5-6-13(14)17-15(20)9-18-7-3-2-4-12(18)10-19/h5-6,8,12,19H,2-4,7,9-10,16H2,1H3,(H,17,20)
InChIKeyWHYPWYDYDROYHM-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.06
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide

N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 61406482) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID61406482
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCOc1cc(N)ccc1NC(=O)CN1CCCCC1CO
InChIInChI=1S/C15H23N3O3/c1-21-14-8-11(16)5-6-13(14)17-15(20)9-18-7-3-2-4-12(18)10-19/h5-6,8,12,19H,2-4,7,9-10,16H2,1H3,(H,17,20)
InChIKeyWHYPWYDYDROYHM-UHFFFAOYSA-N
XLogP1.06
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406852
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407752
N-(4-amino-2-methoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246094
N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
CID 104689012
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637305
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882930
N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
CID 61223798
1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43212131
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467867
N-(4-bromo-2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60685225

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (CID 61406482) is N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is COc1cc(N)ccc1NC(=O)CN1CCCCC1CO.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is WHYPWYDYDROYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-21-14-8-11(16)5-6-13(14)17-15(20)9-18-7-3-2-4-12(18)10-19/h5-6,8,12,19H,2-4,7,9-10,16H2,1H3,(H,17,20).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 61406482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).