N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride

C21H29ClN2O2 — CID 119738762

IUPACN-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCOc1cccc2ccccc12)C1CCNCC1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-16(17-9-11-22-12-10-17)15-21(24)23-13-14-25-20-8-4-6-18-5-2-3-7-19(18)20;/h2-8,16-17,22H,9-15H2,1H3,(H,23,24);1H
InChIKeyGSOOSWTYRZIJSV-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.78
Rot. Bonds7

About N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119738762) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119738762
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCOc1cccc2ccccc12)C1CCNCC1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-16(17-9-11-22-12-10-17)15-21(24)23-13-14-25-20-8-4-6-18-5-2-3-7-19(18)20;/h2-8,16-17,22H,9-15H2,1H3,(H,23,24);1H
InChIKeyGSOOSWTYRZIJSV-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.78
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

3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776231
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900787
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119738762) is N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCCOc1cccc2ccccc12)C1CCNCC1.Cl.
What is the InChIKey of N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is GSOOSWTYRZIJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-16(17-9-11-22-12-10-17)15-21(24)23-13-14-25-20-8-4-6-18-5-2-3-7-19(18)20;/h2-8,16-17,22H,9-15H2,1H3,(H,23,24);1H.
What are the key properties of N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119738762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).