N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide

C20H30N2O4 — CID 178082896

IUPACN-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide
SMILESCCC(=O)c1ccc(N2CCC(C(=O)NCCOCCOC)CC2)cc1
InChIInChI=1S/C20H30N2O4/c1-3-19(23)16-4-6-18(7-5-16)22-11-8-17(9-12-22)20(24)21-10-13-26-15-14-25-2/h4-7,17H,3,8-15H2,1-2H3,(H,21,24)
InChIKeyQSHPEMIPGTXVTN-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.27
Rot. Bonds10

About N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide

N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide (PubChem CID 178082896) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide
PubChem CID178082896
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide
SMILESCCC(=O)c1ccc(N2CCC(C(=O)NCCOCCOC)CC2)cc1
InChIInChI=1S/C20H30N2O4/c1-3-19(23)16-4-6-18(7-5-16)22-11-8-17(9-12-22)20(24)21-10-13-26-15-14-25-2/h4-7,17H,3,8-15H2,1-2H3,(H,21,24)
InChIKeyQSHPEMIPGTXVTN-UHFFFAOYSA-N
XLogP2.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide
CID 178082826
4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane
CID 177357429
1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
CID 47918136
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 62806612
N-(2-methoxyethyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189925
1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
CID 110668128
N-(2-methoxyethyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105117
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid
CID 174891882
methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]butanoate;dihydrochloride
CID 19391280
3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070434

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide (CID 178082896) is N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide is CCC(=O)c1ccc(N2CCC(C(=O)NCCOCCOC)CC2)cc1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide?
The InChIKey is QSHPEMIPGTXVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-3-19(23)16-4-6-18(7-5-16)22-11-8-17(9-12-22)20(24)21-10-13-26-15-14-25-2/h4-7,17H,3,8-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide?
N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 178082896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).