1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide

C23H27FN2O3 — CID 113004740

IUPAC1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H27FN2O3/c1-29-21-4-2-3-17(15-21)9-12-25-23(28)19-10-13-26(14-11-19)22(27)16-18-5-7-20(24)8-6-18/h2-8,15,19H,9-14,16H2,1H3,(H,25,28)
InChIKeyWYNKBIUXZPLLNF-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.97
Rot. Bonds7

About 1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide

1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 113004740) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID113004740
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H27FN2O3/c1-29-21-4-2-3-17(15-21)9-12-25-23(28)19-10-13-26(14-11-19)22(27)16-18-5-7-20(24)8-6-18/h2-8,15,19H,9-14,16H2,1H3,(H,25,28)
InChIKeyWYNKBIUXZPLLNF-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565
1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396
1-[2-(2-fluorophenyl)acetyl]-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 113004677
N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 156687025
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948640
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 113004740) is 1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide is COc1cccc(CCNC(=O)C2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is WYNKBIUXZPLLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-29-21-4-2-3-17(15-21)9-12-25-23(28)19-10-13-26(14-11-19)22(27)16-18-5-7-20(24)8-6-18/h2-8,15,19H,9-14,16H2,1H3,(H,25,28).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 113004740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).