N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide

C16H25N3O2 — CID 107227238

IUPACN-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCc1cc(N)ccc1NC(=O)CN1CCCC(CCO)C1
InChIInChI=1S/C16H25N3O2/c1-12-9-14(17)4-5-15(12)18-16(21)11-19-7-2-3-13(10-19)6-8-20/h4-5,9,13,20H,2-3,6-8,10-11,17H2,1H3,(H,18,21)
InChIKeyPOTVQUIGPLOCMT-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.61
Rot. Bonds5

About N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide

N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide (PubChem CID 107227238) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
PubChem CID107227238
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCc1cc(N)ccc1NC(=O)CN1CCCC(CCO)C1
InChIInChI=1S/C16H25N3O2/c1-12-9-14(17)4-5-15(12)18-16(21)11-19-7-2-3-13(10-19)6-8-20/h4-5,9,13,20H,2-3,6-8,10-11,17H2,1H3,(H,18,21)
InChIKeyPOTVQUIGPLOCMT-UHFFFAOYSA-N
XLogP1.61
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
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-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 114797132
1-[2-(4-amino-2-methylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026228
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114677873
N-(2-aminophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227195
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(4-amino-2-methylphenyl)acetamide
CID 65319594
N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227198
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467867
N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584042
N-(4-bromo-2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62358331
N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964918

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide (CID 107227238) is N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide is Cc1cc(N)ccc1NC(=O)CN1CCCC(CCO)C1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The InChIKey is POTVQUIGPLOCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-9-14(17)4-5-15(12)18-16(21)11-19-7-2-3-13(10-19)6-8-20/h4-5,9,13,20H,2-3,6-8,10-11,17H2,1H3,(H,18,21).
What are the key properties of N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide?
N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 107227238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).