3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide

C26H25FN4OS — CID 156539252

IUPAC3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NC1CCN(c2ncnc3c(-c4ccccc4)csc23)CC1
InChIInChI=1S/C26H25FN4OS/c27-20-9-6-18(7-10-20)8-11-23(32)30-21-12-14-31(15-13-21)26-25-24(28-17-29-26)22(16-33-25)19-4-2-1-3-5-19/h1-7,9-10,16-17,21H,8,11-15H2,(H,30,32)
InChIKeySYZGLVXVBUNBSW-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.22
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide

3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide (PubChem CID 156539252) has the molecular formula C26H25FN4OS and a molecular weight of 460.58 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide
PubChem CID156539252
Molecular FormulaC26H25FN4OS
Molecular Weight460.58 g/mol
Exact Mass460.17
IUPAC Name3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NC1CCN(c2ncnc3c(-c4ccccc4)csc23)CC1
InChIInChI=1S/C26H25FN4OS/c27-20-9-6-18(7-10-20)8-11-23(32)30-21-12-14-31(15-13-21)26-25-24(28-17-29-26)22(16-33-25)19-4-2-1-3-5-19/h1-7,9-10,16-17,21H,8,11-15H2,(H,30,32)
InChIKeySYZGLVXVBUNBSW-UHFFFAOYSA-N
XLogP5.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide
CID 156555013
N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
CID 172898892
N-cyclopentyl-2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 171994481
N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
CID 110823021
3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621306
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
CID 90597351
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
CID 110819897
trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 97318343
2-(4-phenylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55721980
3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide
CID 99875625
3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide (CID 156539252) is 3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide is O=C(CCc1ccc(F)cc1)NC1CCN(c2ncnc3c(-c4ccccc4)csc23)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide?
The InChIKey is SYZGLVXVBUNBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4OS/c27-20-9-6-18(7-10-20)8-11-23(32)30-21-12-14-31(15-13-21)26-25-24(28-17-29-26)22(16-33-25)19-4-2-1-3-5-19/h1-7,9-10,16-17,21H,8,11-15H2,(H,30,32).
What are the key properties of 3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide?
3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide has a molecular weight of 460.58 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 156539252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).