1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea

C14H21FN4O — CID 166603345

IUPAC1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCN(c2ncccc2F)CC1
InChIInChI=1S/C14H21FN4O/c1-17(2)14(20)18(3)11-6-9-19(10-7-11)13-12(15)5-4-8-16-13/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyATIIKIOHNQZZKG-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.80
Rot. Bonds2

About 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea

1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea (PubChem CID 166603345) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea
PubChem CID166603345
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCN(c2ncccc2F)CC1
InChIInChI=1S/C14H21FN4O/c1-17(2)14(20)18(3)11-6-9-19(10-7-11)13-12(15)5-4-8-16-13/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyATIIKIOHNQZZKG-UHFFFAOYSA-N
XLogP1.80
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea (CID 166603345) is 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea is CN(C)C(=O)N(C)C1CCN(c2ncccc2F)CC1.
What is the InChIKey of 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea?
The InChIKey is ATIIKIOHNQZZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-17(2)14(20)18(3)11-6-9-19(10-7-11)13-12(15)5-4-8-16-13/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea?
1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea has a molecular weight of 280.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 166603345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).