N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide

C20H24N2O2S — CID 113004008

IUPACN-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(C(=O)Cc3cccs3)CC2)c1
InChIInChI=1S/C20H24N2O2S/c1-15-4-2-5-16(12-15)14-21-20(24)17-7-9-22(10-8-17)19(23)13-18-6-3-11-25-18/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,21,24)
InChIKeyVVLAHEWEOVUNLJ-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.15
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide

N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (PubChem CID 113004008) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
PubChem CID113004008
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(C(=O)Cc3cccs3)CC2)c1
InChIInChI=1S/C20H24N2O2S/c1-15-4-2-5-16(12-15)14-21-20(24)17-7-9-22(10-8-17)19(23)13-18-6-3-11-25-18/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,21,24)
InChIKeyVVLAHEWEOVUNLJ-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 46171570
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113003575
3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 110820695
N-[(3-methylphenyl)methyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928874
N-[(3-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730995
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
1-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 71035260
N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947338
N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbenzoyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carboxamide
CID 23829091
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (CID 113004008) is N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is Cc1cccc(CNC(=O)C2CCN(C(=O)Cc3cccs3)CC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The InChIKey is VVLAHEWEOVUNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-4-2-5-16(12-15)14-21-20(24)17-7-9-22(10-8-17)19(23)13-18-6-3-11-25-18/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,21,24).
What are the key properties of N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).