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

C17H26N2O2 — CID 60768456

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN2CCC(CO)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)15-4-3-5-16(10-15)18-17(21)11-19-8-6-14(12-20)7-9-19/h3-5,10,13-14,20H,6-9,11-12H2,1-2H3,(H,18,21)
InChIKeyDDTXXUGRRLZXPU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.45
Rot. Bonds5

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

2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 60768456) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
PubChem CID60768456
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN2CCC(CO)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)15-4-3-5-16(10-15)18-17(21)11-19-8-6-14(12-20)7-9-19/h3-5,10,13-14,20H,6-9,11-12H2,1-2H3,(H,18,21)
InChIKeyDDTXXUGRRLZXPU-UHFFFAOYSA-N
XLogP2.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
N-cyclopropyl-2-[4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
CID 30670633
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 61295961
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 134045501
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
2-[(3R)-3-methylpiperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 104975859
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 60510320
2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 62654256
1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 43441925
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 114394898

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide (CID 60768456) is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CN2CCC(CO)CC2)c1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is DDTXXUGRRLZXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)15-4-3-5-16(10-15)18-17(21)11-19-8-6-14(12-20)7-9-19/h3-5,10,13-14,20H,6-9,11-12H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 60768456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).