N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide

C17H26N2O2 — CID 119684535

IUPACN-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCOc1ccccc1)C1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-14(15-7-9-18-10-8-15)13-17(20)19-11-12-21-16-5-3-2-4-6-16/h2-6,14-15,18H,7-13H2,1H3,(H,19,20)
InChIKeyXSZFNZFTSPUTOD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.21
Rot. Bonds7

About N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide

N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide (PubChem CID 119684535) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
PubChem CID119684535
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCOc1ccccc1)C1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-14(15-7-9-18-10-8-15)13-17(20)19-11-12-21-16-5-3-2-4-6-16/h2-6,14-15,18H,7-13H2,1H3,(H,19,20)
InChIKeyXSZFNZFTSPUTOD-UHFFFAOYSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.21
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-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776231
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119738762
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691430
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
tert-butyl 4-[(2S)-4-oxo-4-(2-phenoxyethylamino)butan-2-yl]piperidine-1-carboxylate
CID 124889370
tert-butyl 4-[(2R)-4-oxo-4-(2-phenoxyethylamino)butan-2-yl]piperidine-1-carboxylate
CID 124889372
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119779875

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide (CID 119684535) is N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide is CC(CC(=O)NCCOc1ccccc1)C1CCNCC1.
What is the InChIKey of N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide?
The InChIKey is XSZFNZFTSPUTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(15-7-9-18-10-8-15)13-17(20)19-11-12-21-16-5-3-2-4-6-16/h2-6,14-15,18H,7-13H2,1H3,(H,19,20).
What are the key properties of N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide?
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119684535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).