1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea

C15H26N4OS — CID 75521303

IUPAC1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1cnc(C(C)CNC(=O)NCC2CCCN(C)C2)s1
InChIInChI=1S/C15H26N4OS/c1-11(14-16-8-12(2)21-14)7-17-15(20)18-9-13-5-4-6-19(3)10-13/h8,11,13H,4-7,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyFXALFNHBFRTDIY-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.20
Rot. Bonds5

About 1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea

1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 75521303) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID75521303
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1cnc(C(C)CNC(=O)NCC2CCCN(C)C2)s1
InChIInChI=1S/C15H26N4OS/c1-11(14-16-8-12(2)21-14)7-17-15(20)18-9-13-5-4-6-19(3)10-13/h8,11,13H,4-7,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyFXALFNHBFRTDIY-UHFFFAOYSA-N
XLogP2.20
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea (CID 75521303) is 1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1cnc(C(C)CNC(=O)NCC2CCCN(C)C2)s1.
What is the InChIKey of 1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is FXALFNHBFRTDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-11(14-16-8-12(2)21-14)7-17-15(20)18-9-13-5-4-6-19(3)10-13/h8,11,13H,4-7,9-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 310.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75521303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).