N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

C16H20N4O2S — CID 39014163

IUPACN-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C16H20N4O2S/c21-14(18-11-3-6-19(7-4-11)12-1-2-12)9-20-10-17-13-5-8-23-15(13)16(20)22/h5,8,10-12H,1-4,6-7,9H2,(H,18,21)
InChIKeyITRABNJRSZIMEN-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.20
Rot. Bonds4

About N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 39014163) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID39014163
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C16H20N4O2S/c21-14(18-11-3-6-19(7-4-11)12-1-2-12)9-20-10-17-13-5-8-23-15(13)16(20)22/h5,8,10-12H,1-4,6-7,9H2,(H,18,21)
InChIKeyITRABNJRSZIMEN-UHFFFAOYSA-N
XLogP1.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (CID 39014163) is N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2ccsc2c1=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is ITRABNJRSZIMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-14(18-11-3-6-19(7-4-11)12-1-2-12)9-20-10-17-13-5-8-23-15(13)16(20)22/h5,8,10-12H,1-4,6-7,9H2,(H,18,21).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 39014163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).