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

C22H26N4OS — CID 156555013

IUPAC3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide
SMILESCc1ccccc1CCC(=O)NC1CCN(c2ncnc3c(C)csc23)CC1
InChIInChI=1S/C22H26N4OS/c1-15-5-3-4-6-17(15)7-8-19(27)25-18-9-11-26(12-10-18)22-21-20(23-14-24-22)16(2)13-28-21/h3-6,13-14,18H,7-12H2,1-2H3,(H,25,27)
InChIKeyPITVDFMTVBVIIC-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.03
Rot. Bonds5

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

3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide (PubChem CID 156555013) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide
PubChem CID156555013
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide
SMILESCc1ccccc1CCC(=O)NC1CCN(c2ncnc3c(C)csc23)CC1
InChIInChI=1S/C22H26N4OS/c1-15-5-3-4-6-17(15)7-8-19(27)25-18-9-11-26(12-10-18)22-21-20(23-14-24-22)16(2)13-28-21/h3-6,13-14,18H,7-12H2,1-2H3,(H,25,27)
InChIKeyPITVDFMTVBVIIC-UHFFFAOYSA-N
XLogP4.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methylphenyl)-N-[1-(7-methylthieno[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

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
3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide
CID 156539252
N,N-dimethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 171691257
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 156539132
N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
CID 110823020
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
CID 72931211
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 102685980
3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide
CID 62365696
N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
CID 156555049
N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide
CID 66186748

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide (CID 156555013) is 3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide is Cc1ccccc1CCC(=O)NC1CCN(c2ncnc3c(C)csc23)CC1.
What is the InChIKey of 3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide?
The InChIKey is PITVDFMTVBVIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-15-5-3-4-6-17(15)7-8-19(27)25-18-9-11-26(12-10-18)22-21-20(23-14-24-22)16(2)13-28-21/h3-6,13-14,18H,7-12H2,1-2H3,(H,25,27).
What are the key properties of 3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide?
3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide has a molecular weight of 394.54 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 156555013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).