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

C17H26N2O2 — CID 62211308

IUPACN-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide
SMILESCc1cccc(OCCNC(=O)CCC2CCNCC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-3-2-4-16(13-14)21-12-11-19-17(20)6-5-15-7-9-18-10-8-15/h2-4,13,15,18H,5-12H2,1H3,(H,19,20)
InChIKeyMOZOQIZSOZNLCD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.27
Rot. Bonds7

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

N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide (PubChem CID 62211308) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide
PubChem CID62211308
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide
SMILESCc1cccc(OCCNC(=O)CCC2CCNCC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-3-2-4-16(13-14)21-12-11-19-17(20)6-5-15-7-9-18-10-8-15/h2-4,13,15,18H,5-12H2,1H3,(H,19,20)
InChIKeyMOZOQIZSOZNLCD-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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-phenoxyethyl)-3-piperidin-4-ylpropanamide
CID 62211306
N-(3-phenoxypropyl)-3-piperidin-4-ylpropanamide
CID 62378766
N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438274
3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447173
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide (CID 62211308) is N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide is Cc1cccc(OCCNC(=O)CCC2CCNCC2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide?
The InChIKey is MOZOQIZSOZNLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-3-2-4-16(13-14)21-12-11-19-17(20)6-5-15-7-9-18-10-8-15/h2-4,13,15,18H,5-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide?
N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62211308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).