2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide

C19H30N2O3 — CID 111750150

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
SMILESCC(C)c1ccc(OCCNC(=O)CN2CCCC(CO)C2)cc1
InChIInChI=1S/C19H30N2O3/c1-15(2)17-5-7-18(8-6-17)24-11-9-20-19(23)13-21-10-3-4-16(12-21)14-22/h5-8,15-16,22H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyCJULTUUYOJWXHI-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.01
Rot. Bonds8

About 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide

2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide (PubChem CID 111750150) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
PubChem CID111750150
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
SMILESCC(C)c1ccc(OCCNC(=O)CN2CCCC(CO)C2)cc1
InChIInChI=1S/C19H30N2O3/c1-15(2)17-5-7-18(8-6-17)24-11-9-20-19(23)13-21-10-3-4-16(12-21)14-22/h5-8,15-16,22H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyCJULTUUYOJWXHI-UHFFFAOYSA-N
XLogP2.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 111974917
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119910163
N-(4-ethoxyphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642593
N-ethyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60645129
methyl 4-[[2-[3-(hydroxymethyl)piperidin-1-yl]acetyl]amino]butanoate
CID 60672200
N-[2-(4-propan-2-ylphenoxy)ethyl]azepane-1-carboxamide
CID 112972579
2-(2-methoxyethylamino)-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 119735524
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119922080
2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 95297143
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119905333
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 81493988

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide (CID 111750150) is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide is CC(C)c1ccc(OCCNC(=O)CN2CCCC(CO)C2)cc1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide?
The InChIKey is CJULTUUYOJWXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(2)17-5-7-18(8-6-17)24-11-9-20-19(23)13-21-10-3-4-16(12-21)14-22/h5-8,15-16,22H,3-4,9-14H2,1-2H3,(H,20,23).
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide?
2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide is sourced from PubChem (CID 111750150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).