N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide

C18H28N2O2 — CID 50875549

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide
SMILESCN1CCC(CCNC(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-20-13-10-16(11-14-20)9-12-19-18(21)8-5-15-22-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H,19,21)
InChIKeyAQUBLNSUPRBDOW-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.69
Rot. Bonds8

About N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide

N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide (PubChem CID 50875549) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide
PubChem CID50875549
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide
SMILESCN1CCC(CCNC(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-20-13-10-16(11-14-20)9-12-19-18(21)8-5-15-22-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H,19,21)
InChIKeyAQUBLNSUPRBDOW-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
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-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305
2-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-3-(3-phenoxypropyl)guanidine
CID 111418107
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
CID 110443436
N-(3-phenoxypropyl)-3-piperidin-4-ylpropanamide
CID 62378766
2-(3,4-dimethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 99702462
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide
CID 110287024
N-(2-phenoxyethyl)-3-piperidin-4-ylpropanamide
CID 62211306
N-[2-(1-benzoylpiperidin-4-yl)ethyl]pentanamide
CID 46379006

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide (CID 50875549) is N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide is CN1CCC(CCNC(=O)CCCOc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide?
The InChIKey is AQUBLNSUPRBDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20-13-10-16(11-14-20)9-12-19-18(21)8-5-15-22-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H,19,21).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide has a molecular weight of 304.43 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 50875549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).