N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide

C18H28N2O2 — CID 119742942

IUPACN-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccccc1OCCNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-14-5-3-4-6-17(14)22-12-11-20-18(21)13-15(2)16-7-9-19-10-8-16/h3-6,15-16,19H,7-13H2,1-2H3,(H,20,21)
InChIKeyNOZREAMVBYTATL-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.52
Rot. Bonds7

About N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide

N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119742942) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119742942
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccccc1OCCNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-14-5-3-4-6-17(14)22-12-11-20-18(21)13-15(2)16-7-9-19-10-8-16/h3-6,15-16,19H,7-13H2,1-2H3,(H,20,21)
InChIKeyNOZREAMVBYTATL-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.52
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-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119738762
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776231
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900787
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119754365

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide (CID 119742942) is N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide is Cc1ccccc1OCCNC(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is NOZREAMVBYTATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-5-3-4-6-17(14)22-12-11-20-18(21)13-15(2)16-7-9-19-10-8-16/h3-6,15-16,19H,7-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide?
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 304.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119742942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).