N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide

C16H22N2O3S — CID 108554283

IUPACN-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESCC(=O)CCC(=O)N1CCC(NC(=O)Cc2cccs2)CC1
InChIInChI=1S/C16H22N2O3S/c1-12(19)4-5-16(21)18-8-6-13(7-9-18)17-15(20)11-14-3-2-10-22-14/h2-3,10,13H,4-9,11H2,1H3,(H,17,20)
InChIKeyGRZNCVJNKVOXGL-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.77
Rot. Bonds6

About N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide

N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 108554283) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
PubChem CID108554283
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESCC(=O)CCC(=O)N1CCC(NC(=O)Cc2cccs2)CC1
InChIInChI=1S/C16H22N2O3S/c1-12(19)4-5-16(21)18-8-6-13(7-9-18)17-15(20)11-14-3-2-10-22-14/h2-3,10,13H,4-9,11H2,1H3,(H,17,20)
InChIKeyGRZNCVJNKVOXGL-UHFFFAOYSA-N
XLogP1.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554270
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554273
N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822570
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347
N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 108561438
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide
CID 108552059
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940
3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
CID 108554925
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide (CID 108554283) is N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide is CC(=O)CCC(=O)N1CCC(NC(=O)Cc2cccs2)CC1.
What is the InChIKey of N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is GRZNCVJNKVOXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12(19)4-5-16(21)18-8-6-13(7-9-18)17-15(20)11-14-3-2-10-22-14/h2-3,10,13H,4-9,11H2,1H3,(H,17,20).
What are the key properties of N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 322.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 108554283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).