1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea

C19H24N4O2 — CID 138054189

IUPAC1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea
SMILESO=C(NCCN1CCC(O)CC1)Nc1ccnc(-c2ccccc2)c1
InChIInChI=1S/C19H24N4O2/c24-17-7-11-23(12-8-17)13-10-21-19(25)22-16-6-9-20-18(14-16)15-4-2-1-3-5-15/h1-6,9,14,17,24H,7-8,10-13H2,(H2,20,21,22,25)
InChIKeyNDHBRGMOKFPFMQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.33
Rot. Bonds5

About 1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea

1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea (PubChem CID 138054189) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea
PubChem CID138054189
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea
SMILESO=C(NCCN1CCC(O)CC1)Nc1ccnc(-c2ccccc2)c1
InChIInChI=1S/C19H24N4O2/c24-17-7-11-23(12-8-17)13-10-21-19(25)22-16-6-9-20-18(14-16)15-4-2-1-3-5-15/h1-6,9,14,17,24H,7-8,10-13H2,(H2,20,21,22,25)
InChIKeyNDHBRGMOKFPFMQ-UHFFFAOYSA-N
XLogP2.33
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea?
The IUPAC name of 1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea (CID 138054189) is 1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea?
The canonical SMILES for 1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea is O=C(NCCN1CCC(O)CC1)Nc1ccnc(-c2ccccc2)c1.
What is the InChIKey of 1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea?
The InChIKey is NDHBRGMOKFPFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-17-7-11-23(12-8-17)13-10-21-19(25)22-16-6-9-20-18(14-16)15-4-2-1-3-5-15/h1-6,9,14,17,24H,7-8,10-13H2,(H2,20,21,22,25).
What are the key properties of 1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea?
1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea has a molecular weight of 340.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea is sourced from PubChem (CID 138054189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).