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

C16H25N3O2S — CID 108561438

IUPACN,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(NC(=O)Cc2cccs2)CC1
InChIInChI=1S/C16H25N3O2S/c1-3-18(4-2)16(21)19-9-7-13(8-10-19)17-15(20)12-14-6-5-11-22-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,17,20)
InChIKeyPDULJPSDCRMWAM-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.33
Rot. Bonds5

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

N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide (PubChem CID 108561438) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
PubChem CID108561438
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(NC(=O)Cc2cccs2)CC1
InChIInChI=1S/C16H25N3O2S/c1-3-18(4-2)16(21)19-9-7-13(8-10-19)17-15(20)12-14-6-5-11-22-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,17,20)
InChIKeyPDULJPSDCRMWAM-UHFFFAOYSA-N
XLogP2.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
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-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822570
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554216
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554270
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
CID 110821759
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 115578683

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide (CID 108561438) is N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide is CCN(CC)C(=O)N1CCC(NC(=O)Cc2cccs2)CC1.
What is the InChIKey of N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide?
The InChIKey is PDULJPSDCRMWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-3-18(4-2)16(21)19-9-7-13(8-10-19)17-15(20)12-14-6-5-11-22-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,17,20).
What are the key properties of N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide?
N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 108561438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).