4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

C16H21N5O2S — CID 71654774

IUPAC4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C16H21N5O2S/c1-10(22)18-5-2-11-3-6-21(7-4-11)16-14-12(19-9-20-16)8-13(24-14)15(17)23/h8-9,11H,2-7H2,1H3,(H2,17,23)(H,18,22)
InChIKeyKHHINHQHUHGNAF-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.53
Rot. Bonds5

About 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71654774) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID71654774
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C16H21N5O2S/c1-10(22)18-5-2-11-3-6-21(7-4-11)16-14-12(19-9-20-16)8-13(24-14)15(17)23/h8-9,11H,2-7H2,1H3,(H2,17,23)(H,18,22)
InChIKeyKHHINHQHUHGNAF-UHFFFAOYSA-N
XLogP1.53
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-[1-(6-Carbamoylthieno[3,2-D]pyrimidin-4-Yl)piperidin-4-Yl]ethyl}-N'-Ethylthiophene-2,5-Dicarboxamide
CID 71304813
4-(4-{2-[(2,2-Dimethylpropanoyl)amino]ethyl}piperidin-1-Yl)thieno[3,2-D]pyrimidine-6-Carboxamide
CID 71304814
4-(4-{2-[(Methylsulfonyl)amino]ethyl}piperidin-1-Yl)thieno[3,2-D]pyrimidine-6-Carboxamide
CID 71304815
Tert-butyl 5-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethylcarbamoyl]thiophene-2-carboxylate
CID 71654771
[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]-morpholino-methanone
CID 76310737
1-[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]ethanone
CID 76332495
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid methyl-amide
CID 25230098
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid cyclo-hexylamide
CID 25230100
(S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230181
(+/-)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25231166
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid ethyl-amide
CID 25231167
{2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-pyrrolidin-1-yl-methanone
CID 25231168

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (CID 71654774) is 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is CC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1.
What is the InChIKey of 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is KHHINHQHUHGNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10(22)18-5-2-11-3-6-21(7-4-11)16-14-12(19-9-20-16)8-13(24-14)15(17)23/h8-9,11H,2-7H2,1H3,(H2,17,23)(H,18,22).
What are the key properties of 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71654774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).