N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

C27H33N3OS — CID 14426418

IUPACN-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nc(C)c(C)s2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C27H33N3OS/c1-4-25(31)30(24-13-9-6-10-14-24)27(26-28-21(2)22(3)32-26)16-19-29(20-17-27)18-15-23-11-7-5-8-12-23/h5-14H,4,15-20H2,1-3H3
InChIKeyHSRXEKVCVWWTBN-UHFFFAOYSA-N
MW447.65 g/mol
LogP5.74
Rot. Bonds7

About N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14426418) has the molecular formula C27H33N3OS and a molecular weight of 447.65 g/mol. Its IUPAC name is N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID14426418
Molecular FormulaC27H33N3OS
Molecular Weight447.65 g/mol
Exact Mass447.23
IUPAC NameN-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nc(C)c(C)s2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C27H33N3OS/c1-4-25(31)30(24-13-9-6-10-14-24)27(26-28-21(2)22(3)32-26)16-19-29(20-17-27)18-15-23-11-7-5-8-12-23/h5-14H,4,15-20H2,1-3H3
InChIKeyHSRXEKVCVWWTBN-UHFFFAOYSA-N
XLogP5.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.65
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 14426418) is N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(c2nc(C)c(C)s2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is HSRXEKVCVWWTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3OS/c1-4-25(31)30(24-13-9-6-10-14-24)27(26-28-21(2)22(3)32-26)16-19-29(20-17-27)18-15-23-11-7-5-8-12-23/h5-14H,4,15-20H2,1-3H3.
What are the key properties of N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 447.65 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14426418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).