N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide

C17H27N3O2S — CID 110822570

IUPACN-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCC(NC(=O)Cc2cccs2)CC1
InChIInChI=1S/C17H27N3O2S/c1-17(2,3)12-18-16(22)20-8-6-13(7-9-20)19-15(21)11-14-5-4-10-23-14/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyOQSVITWGETZIJL-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.63
Rot. Bonds4

About N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide

N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide (PubChem CID 110822570) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
PubChem CID110822570
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCC(NC(=O)Cc2cccs2)CC1
InChIInChI=1S/C17H27N3O2S/c1-17(2,3)12-18-16(22)20-8-6-13(7-9-20)19-15(21)11-14-5-4-10-23-14/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyOQSVITWGETZIJL-UHFFFAOYSA-N
XLogP2.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 108561438
N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554270
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide
CID 110822549
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554273
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide (CID 110822570) is N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide is CC(C)(C)CNC(=O)N1CCC(NC(=O)Cc2cccs2)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide?
The InChIKey is OQSVITWGETZIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-17(2,3)12-18-16(22)20-8-6-13(7-9-20)19-15(21)11-14-5-4-10-23-14/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide?
N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 110822570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).