1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea

C19H24N4O2 — CID 71869641

IUPAC1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea
SMILESO=C(NCc1ccccc1CN1CCC(O)CC1)Nc1ccccn1
InChIInChI=1S/C19H24N4O2/c24-17-8-11-23(12-9-17)14-16-6-2-1-5-15(16)13-21-19(25)22-18-7-3-4-10-20-18/h1-7,10,17,24H,8-9,11-14H2,(H2,20,21,22,25)
InChIKeyWZOXUUONSNLMLL-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.36
Rot. Bonds5

About 1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea

1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea (PubChem CID 71869641) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea
PubChem CID71869641
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea
SMILESO=C(NCc1ccccc1CN1CCC(O)CC1)Nc1ccccn1
InChIInChI=1S/C19H24N4O2/c24-17-8-11-23(12-9-17)14-16-6-2-1-5-15(16)13-21-19(25)22-18-7-3-4-10-20-18/h1-7,10,17,24H,8-9,11-14H2,(H2,20,21,22,25)
InChIKeyWZOXUUONSNLMLL-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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)methyl]phenyl]methyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea (CID 71869641) is 1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea is O=C(NCc1ccccc1CN1CCC(O)CC1)Nc1ccccn1.
What is the InChIKey of 1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea?
The InChIKey is WZOXUUONSNLMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-17-8-11-23(12-9-17)14-16-6-2-1-5-15(16)13-21-19(25)22-18-7-3-4-10-20-18/h1-7,10,17,24H,8-9,11-14H2,(H2,20,21,22,25).
What are the key properties of 1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea?
1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylurea has a molecular weight of 340.43 g/mol, XLogP of 2.36, 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)methyl]phenyl]methyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 71869641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).