1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide

C25H31FN2O3 — CID 55749531

IUPAC1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)OCc1ccc(CNC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H31FN2O3/c1-18(2)31-17-21-7-5-20(6-8-21)15-27-25(30)22-4-3-13-28(16-22)24(29)14-19-9-11-23(26)12-10-19/h5-12,18,22H,3-4,13-17H2,1-2H3,(H,27,30)
InChIKeyASIHGVZMZUQHPR-UHFFFAOYSA-N
MW426.53 g/mol
LogP3.85
Rot. Bonds8

About 1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide

1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 55749531) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID55749531
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)OCc1ccc(CNC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H31FN2O3/c1-18(2)31-17-21-7-5-20(6-8-21)15-27-25(30)22-4-3-13-28(16-22)24(29)14-19-9-11-23(26)12-10-19/h5-12,18,22H,3-4,13-17H2,1-2H3,(H,27,30)
InChIKeyASIHGVZMZUQHPR-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95345541
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
1-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 55739487
N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55760283
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 56576179
N-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344209
1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 55741772
1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 47043917
N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55782704
1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55738740

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide (CID 55749531) is 1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide is CC(C)OCc1ccc(CNC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is ASIHGVZMZUQHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O3/c1-18(2)31-17-21-7-5-20(6-8-21)15-27-25(30)22-4-3-13-28(16-22)24(29)14-19-9-11-23(26)12-10-19/h5-12,18,22H,3-4,13-17H2,1-2H3,(H,27,30).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide?
1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 426.53 g/mol, XLogP of 3.85, 8 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-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55749531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).