1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea

C16H22N4O2 — CID 166603589

IUPAC1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCN(c2nccc3occc23)CC1
InChIInChI=1S/C16H22N4O2/c1-18(2)16(21)19(3)12-5-9-20(10-6-12)15-13-7-11-22-14(13)4-8-17-15/h4,7-8,11-12H,5-6,9-10H2,1-3H3
InChIKeyPXESRJRBECZTSH-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.41
Rot. Bonds2

About 1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea

1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea (PubChem CID 166603589) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea
PubChem CID166603589
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCN(c2nccc3occc23)CC1
InChIInChI=1S/C16H22N4O2/c1-18(2)16(21)19(3)12-5-9-20(10-6-12)15-13-7-11-22-14(13)4-8-17-15/h4,7-8,11-12H,5-6,9-10H2,1-3H3
InChIKeyPXESRJRBECZTSH-UHFFFAOYSA-N
XLogP2.41
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea?
The IUPAC name of 1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea (CID 166603589) is 1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea?
The canonical SMILES for 1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea is CN(C)C(=O)N(C)C1CCN(c2nccc3occc23)CC1.
What is the InChIKey of 1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea?
The InChIKey is PXESRJRBECZTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-18(2)16(21)19(3)12-5-9-20(10-6-12)15-13-7-11-22-14(13)4-8-17-15/h4,7-8,11-12H,5-6,9-10H2,1-3H3.
What are the key properties of 1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea?
1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea has a molecular weight of 302.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea is sourced from PubChem (CID 166603589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).