(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone

C16H21N5OS — CID 119376355

IUPAC(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
SMILESNC1CCN(C(=O)C2CCCN2c2ncnc3sccc23)CC1
InChIInChI=1S/C16H21N5OS/c17-11-3-7-20(8-4-11)16(22)13-2-1-6-21(13)14-12-5-9-23-15(12)19-10-18-14/h5,9-11,13H,1-4,6-8,17H2
InChIKeyKJWFYSQXBBSKJD-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.61
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone

(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 119376355) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID119376355
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
SMILESNC1CCN(C(=O)C2CCCN2c2ncnc3sccc23)CC1
InChIInChI=1S/C16H21N5OS/c17-11-3-7-20(8-4-11)16(22)13-2-1-6-21(13)14-12-5-9-23-15(12)19-10-18-14/h5,9-11,13H,1-4,6-8,17H2
InChIKeyKJWFYSQXBBSKJD-UHFFFAOYSA-N
XLogP1.61
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone (CID 119376355) is (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone is NC1CCN(C(=O)C2CCCN2c2ncnc3sccc23)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is KJWFYSQXBBSKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c17-11-3-7-20(8-4-11)16(22)13-2-1-6-21(13)14-12-5-9-23-15(12)19-10-18-14/h5,9-11,13H,1-4,6-8,17H2.
What are the key properties of (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 331.45 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 119376355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).