1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide

C15H21N3O2S — CID 121154068

IUPAC1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)Cc3ccsc3)C2)CC1
InChIInChI=1S/C15H21N3O2S/c16-15(20)12-1-4-17(5-2-12)13-8-18(9-13)14(19)7-11-3-6-21-10-11/h3,6,10,12-13H,1-2,4-5,7-9H2,(H2,16,20)
InChIKeyYBOWATYTKSZNNB-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.70
Rot. Bonds4

About 1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide

1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121154068) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121154068
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)Cc3ccsc3)C2)CC1
InChIInChI=1S/C15H21N3O2S/c16-15(20)12-1-4-17(5-2-12)13-8-18(9-13)14(19)7-11-3-6-21-10-11/h3,6,10,12-13H,1-2,4-5,7-9H2,(H2,16,20)
InChIKeyYBOWATYTKSZNNB-UHFFFAOYSA-N
XLogP0.70
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153974
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153785
1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 91792162
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153798
1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone
CID 136527078
N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide
CID 77041855
(3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94200571
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide (CID 121154068) is 1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)Cc3ccsc3)C2)CC1.
What is the InChIKey of 1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is YBOWATYTKSZNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-15(20)12-1-4-17(5-2-12)13-8-18(9-13)14(19)7-11-3-6-21-10-11/h3,6,10,12-13H,1-2,4-5,7-9H2,(H2,16,20).
What are the key properties of 1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide?
1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121154068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).