N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide

C14H17N5O3S — CID 137223293

IUPACN-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2csc3c(=O)[nH]c(N)nc23)CC1
InChIInChI=1S/C14H17N5O3S/c1-7(20)16-8-2-4-19(5-3-8)13(22)9-6-23-11-10(9)17-14(15)18-12(11)21/h6,8H,2-5H2,1H3,(H,16,20)(H3,15,17,18,21)
InChIKeyUQPYKRBLCDMMBP-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.31
Rot. Bonds2

About N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide

N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide (PubChem CID 137223293) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide
PubChem CID137223293
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC NameN-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2csc3c(=O)[nH]c(N)nc23)CC1
InChIInChI=1S/C14H17N5O3S/c1-7(20)16-8-2-4-19(5-3-8)13(22)9-6-23-11-10(9)17-14(15)18-12(11)21/h6,8H,2-5H2,1H3,(H,16,20)(H3,15,17,18,21)
InChIKeyUQPYKRBLCDMMBP-UHFFFAOYSA-N
XLogP0.31
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137223297
2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 137223356
4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 104893005
N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 112687931
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide
CID 113233340
N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 103296776
2-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetaldehyde
CID 137429876
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 113402246
3-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]propanal
CID 142506495
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-(2-hydroxyethyl)-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 159348149
N-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 49348738

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide (CID 137223293) is N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2csc3c(=O)[nH]c(N)nc23)CC1.
What is the InChIKey of N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is UQPYKRBLCDMMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-7(20)16-8-2-4-19(5-3-8)13(22)9-6-23-11-10(9)17-14(15)18-12(11)21/h6,8H,2-5H2,1H3,(H,16,20)(H3,15,17,18,21).
What are the key properties of N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide?
N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 335.39 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 137223293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).