N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide

C21H34N2O2 — CID 142864877

IUPACN-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide
SMILESCCN(CCCc1cccc(OCCCN2CCCCC2)c1)C(C)=O
InChIInChI=1S/C21H34N2O2/c1-3-23(19(2)24)16-8-11-20-10-7-12-21(18-20)25-17-9-15-22-13-5-4-6-14-22/h7,10,12,18H,3-6,8-9,11,13-17H2,1-2H3
InChIKeyDXFSYCSIKNVIAA-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.74
Rot. Bonds10

About N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide

N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide (PubChem CID 142864877) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide
PubChem CID142864877
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide
SMILESCCN(CCCc1cccc(OCCCN2CCCCC2)c1)C(C)=O
InChIInChI=1S/C21H34N2O2/c1-3-23(19(2)24)16-8-11-20-10-7-12-21(18-20)25-17-9-15-22-13-5-4-6-14-22/h7,10,12,18H,3-6,8-9,11,13-17H2,1-2H3
InChIKeyDXFSYCSIKNVIAA-UHFFFAOYSA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid
CID 2922693
2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 54961021
N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride
CID 141361840
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
[3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate
CID 10924256
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate
CID 3042507
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 91840346
N-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 170714078
2-piperidin-1-ylethyl N-(3-pentoxyphenyl)-N-propylcarbamate;hydrochloride
CID 3042453
2-[furan-2-ylmethyl-[2-[3-(2-piperidin-1-ylethoxy)phenyl]ethyl]amino]-N-methylacetamide;hydrochloride
CID 66590485

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide?
The IUPAC name of N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide (CID 142864877) is N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide.
What is the SMILES notation for N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide?
The canonical SMILES for N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide is CCN(CCCc1cccc(OCCCN2CCCCC2)c1)C(C)=O.
What is the InChIKey of N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide?
The InChIKey is DXFSYCSIKNVIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-3-23(19(2)24)16-8-11-20-10-7-12-21(18-20)25-17-9-15-22-13-5-4-6-14-22/h7,10,12,18H,3-6,8-9,11,13-17H2,1-2H3.
What are the key properties of N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide?
N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide has a molecular weight of 346.52 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide is sourced from PubChem (CID 142864877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).