N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide

C19H21N5OS — CID 24623746

IUPACN-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Nc2ncnc3ccsc23)CC1)Nc1ccccc1
InChIInChI=1S/C19H21N5OS/c25-17(22-14-4-2-1-3-5-14)12-24-9-6-15(7-10-24)23-19-18-16(8-11-26-18)20-13-21-19/h1-5,8,11,13,15H,6-7,9-10,12H2,(H,22,25)(H,20,21,23)
InChIKeyJHDSIKAPIXCSSH-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.21
Rot. Bonds5

About N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide

N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide (PubChem CID 24623746) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
PubChem CID24623746
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Nc2ncnc3ccsc23)CC1)Nc1ccccc1
InChIInChI=1S/C19H21N5OS/c25-17(22-14-4-2-1-3-5-14)12-24-9-6-15(7-10-24)23-19-18-16(8-11-26-18)20-13-21-19/h1-5,8,11,13,15H,6-7,9-10,12H2,(H,22,25)(H,20,21,23)
InChIKeyJHDSIKAPIXCSSH-UHFFFAOYSA-N
XLogP3.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24592338
furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 31660307
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-[4-[(4-methylquinolin-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 134006987
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide
CID 51335811
2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 133489053
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 25397691
2-(4-ethoxypiperidin-1-yl)-N-phenylacetamide
CID 47358518
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide (CID 24623746) is N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide is O=C(CN1CCC(Nc2ncnc3ccsc23)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide?
The InChIKey is JHDSIKAPIXCSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c25-17(22-14-4-2-1-3-5-14)12-24-9-6-15(7-10-24)23-19-18-16(8-11-26-18)20-13-21-19/h1-5,8,11,13,15H,6-7,9-10,12H2,(H,22,25)(H,20,21,23).
What are the key properties of N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide?
N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide has a molecular weight of 367.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 24623746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).