2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide

C18H22N2O2 — CID 110880917

IUPAC2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(CN1CCCCC1CO)Nc1cccc2ccccc12
InChIInChI=1S/C18H22N2O2/c21-13-15-8-3-4-11-20(15)12-18(22)19-17-10-5-7-14-6-1-2-9-16(14)17/h1-2,5-7,9-10,15,21H,3-4,8,11-13H2,(H,19,22)
InChIKeyDTKMQBZBOBUBRR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.63
Rot. Bonds4

About 2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide

2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 110880917) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID110880917
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(CN1CCCCC1CO)Nc1cccc2ccccc12
InChIInChI=1S/C18H22N2O2/c21-13-15-8-3-4-11-20(15)12-18(22)19-17-10-5-7-14-6-1-2-9-16(14)17/h1-2,5-7,9-10,15,21H,3-4,8,11-13H2,(H,19,22)
InChIKeyDTKMQBZBOBUBRR-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111431815
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580
2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 119050828
2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 124744377
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 62046547
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116634774
N-(2-acetylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 63297555
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578
N-(2,1,3-benzothiadiazol-4-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684776
1-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-naphthalen-1-ylurea
CID 95318276
3-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxylic acid
CID 110162224
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide (CID 110880917) is 2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide is O=C(CN1CCCCC1CO)Nc1cccc2ccccc12.
What is the InChIKey of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is DTKMQBZBOBUBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-13-15-8-3-4-11-20(15)12-18(22)19-17-10-5-7-14-6-1-2-9-16(14)17/h1-2,5-7,9-10,15,21H,3-4,8,11-13H2,(H,19,22).
What are the key properties of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide?
2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 298.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 110880917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).