N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C21H25N3O3S — CID 46481195

IUPACN-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)C2CCCN(C(=O)c3cccs3)C2)c1
InChIInChI=1S/C21H25N3O3S/c1-23(2)20(26)16-7-3-6-15(12-16)13-22-19(25)17-8-4-10-24(14-17)21(27)18-9-5-11-28-18/h3,5-7,9,11-12,17H,4,8,10,13-14H2,1-2H3,(H,22,25)
InChIKeyNNLDWTPMYLBOPU-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.62
Rot. Bonds5

About N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 46481195) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID46481195
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)C2CCCN(C(=O)c3cccs3)C2)c1
InChIInChI=1S/C21H25N3O3S/c1-23(2)20(26)16-7-3-6-15(12-16)13-22-19(25)17-8-4-10-24(14-17)21(27)18-9-5-11-28-18/h3,5-7,9,11-12,17H,4,8,10,13-14H2,1-2H3,(H,22,25)
InChIKeyNNLDWTPMYLBOPU-UHFFFAOYSA-N
XLogP2.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 136524441
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 71941255
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30783507
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 46481195) is N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CN(C)C(=O)c1cccc(CNC(=O)C2CCCN(C(=O)c3cccs3)C2)c1.
What is the InChIKey of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is NNLDWTPMYLBOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-23(2)20(26)16-7-3-6-15(12-16)13-22-19(25)17-8-4-10-24(14-17)21(27)18-9-5-11-28-18/h3,5-7,9,11-12,17H,4,8,10,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46481195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).