N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide

C20H26N2O2 — CID 111429650

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCCCN1CCC(O)CC1
InChIInChI=1S/C20H26N2O2/c23-18-9-13-22(14-10-18)12-4-11-21-20(24)15-17-7-3-6-16-5-1-2-8-19(16)17/h1-3,5-8,18,23H,4,9-15H2,(H,21,24)
InChIKeyLWDZQDQGJCJKJB-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.35
Rot. Bonds6

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide (PubChem CID 111429650) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide
PubChem CID111429650
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCCCN1CCC(O)CC1
InChIInChI=1S/C20H26N2O2/c23-18-9-13-22(14-10-18)12-4-11-21-20(24)15-17-7-3-6-16-5-1-2-8-19(16)17/h1-3,5-8,18,23H,4,9-15H2,(H,21,24)
InChIKeyLWDZQDQGJCJKJB-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-yl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 51571886
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-2-yloxyacetamide
CID 111429697
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429617
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide
CID 111463003
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111429533
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide
CID 43246333
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
CID 111429528
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
N-(5-chloropentyl)-2-naphthalen-1-ylacetamide
CID 107321302

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide (CID 111429650) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCCCN1CCC(O)CC1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide?
The InChIKey is LWDZQDQGJCJKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-18-9-13-22(14-10-18)12-4-11-21-20(24)15-17-7-3-6-16-5-1-2-8-19(16)17/h1-3,5-8,18,23H,4,9-15H2,(H,21,24).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide has a molecular weight of 326.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 111429650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).