N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide

C23H30N2O2 — CID 119754365

IUPACN-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCOc1ccccc1-c1ccccc1)C1CCCNC1
InChIInChI=1S/C23H30N2O2/c1-18(20-10-7-13-24-17-20)16-23(26)25-14-15-27-22-12-6-5-11-21(22)19-8-3-2-4-9-19/h2-6,8-9,11-12,18,20,24H,7,10,13-17H2,1H3,(H,25,26)
InChIKeyHVLQHPMZOXKEFP-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.87
Rot. Bonds8

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

N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119754365) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119754365
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC NameN-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCOc1ccccc1-c1ccccc1)C1CCCNC1
InChIInChI=1S/C23H30N2O2/c1-18(20-10-7-13-24-17-20)16-23(26)25-14-15-27-22-12-6-5-11-21(22)19-8-3-2-4-9-19/h2-6,8-9,11-12,18,20,24H,7,10,13-17H2,1H3,(H,25,26)
InChIKeyHVLQHPMZOXKEFP-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.87
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

N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119690043
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
N-[2-(4-methylsulfonylphenoxy)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777473
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
CID 119704258

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide (CID 119754365) is N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCCOc1ccccc1-c1ccccc1)C1CCCNC1.
What is the InChIKey of N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is HVLQHPMZOXKEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18(20-10-7-13-24-17-20)16-23(26)25-14-15-27-22-12-6-5-11-21(22)19-8-3-2-4-9-19/h2-6,8-9,11-12,18,20,24H,7,10,13-17H2,1H3,(H,25,26).
What are the key properties of N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide?
N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 366.50 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119754365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).