4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

C17H25FN2O3 — CID 91907793

IUPAC4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCCOCCOC1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O3/c1-2-22-11-12-23-16-7-9-20(10-8-16)17(21)19-13-14-3-5-15(18)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,19,21)
InChIKeyBVRWXFFHIFZNDN-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.55
Rot. Bonds7

About 4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 91907793) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID91907793
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCCOCCOC1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O3/c1-2-22-11-12-23-16-7-9-20(10-8-16)17(21)19-13-14-3-5-15(18)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,19,21)
InChIKeyBVRWXFFHIFZNDN-UHFFFAOYSA-N
XLogP2.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methylmorpholine-4-carboxamide
CID 669645
N-benzylmorpholine-4-carboxamide
CID 760018
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
4-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 5123397
N-butyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 6467378
1-(1,4-Dioxan-2-ylmethyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
CID 2902662
ethyl N-[(4-{3-[(4-fluorobenzyl)amino]-3-oxopropyl}-1-piperidinyl)carbonyl]-beta-alaninate
CID 23723746
N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 831447
6-(2,6-dimethylmorpholino)-3-(4-fluorobenzyl)pyrimidine-2,4(1H,3H)-dione
CID 5310075
N-((4-(4-Fluorobenzyl)morpholin-2-yl)methyl)acetamide
CID 10683176
N-butyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 6468527
N-[(4-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 16033526

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (CID 91907793) is 4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is CCOCCOC1CCN(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is BVRWXFFHIFZNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-2-22-11-12-23-16-7-9-20(10-8-16)17(21)19-13-14-3-5-15(18)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,19,21).
What are the key properties of 4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 91907793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).