1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea

C15H31N3O — CID 60569589

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea
SMILESCC1CC(C)CN(C(C)(C)CNC(=O)NC(C)C)C1
InChIInChI=1S/C15H31N3O/c1-11(2)17-14(19)16-10-15(5,6)18-8-12(3)7-13(4)9-18/h11-13H,7-10H2,1-6H3,(H2,16,17,19)
InChIKeyXRSPUKORFNUBIH-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.45
Rot. Bonds4

About 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea

1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea (PubChem CID 60569589) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea
PubChem CID60569589
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea
SMILESCC1CC(C)CN(C(C)(C)CNC(=O)NC(C)C)C1
InChIInChI=1S/C15H31N3O/c1-11(2)17-14(19)16-10-15(5,6)18-8-12(3)7-13(4)9-18/h11-13H,7-10H2,1-6H3,(H2,16,17,19)
InChIKeyXRSPUKORFNUBIH-UHFFFAOYSA-N
XLogP2.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea (CID 60569589) is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea is CC1CC(C)CN(C(C)(C)CNC(=O)NC(C)C)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea?
The InChIKey is XRSPUKORFNUBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11(2)17-14(19)16-10-15(5,6)18-8-12(3)7-13(4)9-18/h11-13H,7-10H2,1-6H3,(H2,16,17,19).
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea?
1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea has a molecular weight of 269.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea is sourced from PubChem (CID 60569589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).