1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea

C22H26N4O3 — CID 118723011

IUPAC1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea
SMILESO=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2ccoc12
InChIInChI=1S/C22H26N4O3/c27-21(25-19-6-10-23-18-7-15-29-20(18)19)24-11-14-26-12-8-22(28,9-13-26)16-17-4-2-1-3-5-17/h1-7,10,15,28H,8-9,11-14,16H2,(H2,23,24,25,27)
InChIKeyWFDUJPPYGZNMDX-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.02
Rot. Bonds6

About 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea

1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea (PubChem CID 118723011) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea.

Molecular Properties

Compound Name1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea
PubChem CID118723011
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea
SMILESO=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2ccoc12
InChIInChI=1S/C22H26N4O3/c27-21(25-19-6-10-23-18-7-15-29-20(18)19)24-11-14-26-12-8-22(28,9-13-26)16-17-4-2-1-3-5-17/h1-7,10,15,28H,8-9,11-14,16H2,(H2,23,24,25,27)
InChIKeyWFDUJPPYGZNMDX-UHFFFAOYSA-N
XLogP3.02
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea?
The IUPAC name of 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea (CID 118723011) is 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea.
What is the SMILES notation for 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea?
The canonical SMILES for 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea is O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2ccoc12.
What is the InChIKey of 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea?
The InChIKey is WFDUJPPYGZNMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21(25-19-6-10-23-18-7-15-29-20(18)19)24-11-14-26-12-8-22(28,9-13-26)16-17-4-2-1-3-5-17/h1-7,10,15,28H,8-9,11-14,16H2,(H2,23,24,25,27).
What are the key properties of 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea?
1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea has a molecular weight of 394.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-furo[3,2-b]pyridin-7-ylurea is sourced from PubChem (CID 118723011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).