N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide

C25H25FN2O2S — CID 46071643

IUPACN-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(c2ccccc2)N(C(=O)Cc2cccs2)C1
InChIInChI=1S/C25H25FN2O2S/c26-21-9-4-6-18(14-21)16-27-25(30)20-11-12-23(19-7-2-1-3-8-19)28(17-20)24(29)15-22-10-5-13-31-22/h1-10,13-14,20,23H,11-12,15-17H2,(H,27,30)
InChIKeyDBCXPHYMNJMKHQ-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.73
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide

N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide (PubChem CID 46071643) has the molecular formula C25H25FN2O2S and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
PubChem CID46071643
Molecular FormulaC25H25FN2O2S
Molecular Weight436.55 g/mol
Exact Mass436.16
IUPAC NameN-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(c2ccccc2)N(C(=O)Cc2cccs2)C1
InChIInChI=1S/C25H25FN2O2S/c26-21-9-4-6-18(14-21)16-27-25(30)20-11-12-23(19-7-2-1-3-8-19)28(17-20)24(29)15-22-10-5-13-31-22/h1-10,13-14,20,23H,11-12,15-17H2,(H,27,30)
InChIKeyDBCXPHYMNJMKHQ-UHFFFAOYSA-N
XLogP4.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 46041479
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42849482
N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 42869831
(3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 93000774
N-[[3-(aminomethyl)phenyl]methyl]-1-(3-fluorobenzoyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carboxamide
CID 23828601
N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113004008
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
(2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 93210253
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 46071991
(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 93001712
cis-(1S,3R)-3-[(3-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552932

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide (CID 46071643) is N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide is O=C(NCc1cccc(F)c1)C1CCC(c2ccccc2)N(C(=O)Cc2cccs2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The InChIKey is DBCXPHYMNJMKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2S/c26-21-9-4-6-18(14-21)16-27-25(30)20-11-12-23(19-7-2-1-3-8-19)28(17-20)24(29)15-22-10-5-13-31-22/h1-10,13-14,20,23H,11-12,15-17H2,(H,27,30).
What are the key properties of N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 46071643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).