1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea

C17H26N4O2 — CID 91812788

IUPAC1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea
SMILESO=C(NCC1CCN(c2ccccn2)CC1)NCC1CCCO1
InChIInChI=1S/C17H26N4O2/c22-17(20-13-15-4-3-11-23-15)19-12-14-6-9-21(10-7-14)16-5-1-2-8-18-16/h1-2,5,8,14-15H,3-4,6-7,9-13H2,(H2,19,20,22)
InChIKeyQMUKYPCRFYSHOM-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.78
Rot. Bonds5

About 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea

1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea (PubChem CID 91812788) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea
PubChem CID91812788
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea
SMILESO=C(NCC1CCN(c2ccccn2)CC1)NCC1CCCO1
InChIInChI=1S/C17H26N4O2/c22-17(20-13-15-4-3-11-23-15)19-12-14-6-9-21(10-7-14)16-5-1-2-8-18-16/h1-2,5,8,14-15H,3-4,6-7,9-13H2,(H2,19,20,22)
InChIKeyQMUKYPCRFYSHOM-UHFFFAOYSA-N
XLogP1.78
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea (CID 91812788) is 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea is O=C(NCC1CCN(c2ccccn2)CC1)NCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea?
The InChIKey is QMUKYPCRFYSHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-17(20-13-15-4-3-11-23-15)19-12-14-6-9-21(10-7-14)16-5-1-2-8-18-16/h1-2,5,8,14-15H,3-4,6-7,9-13H2,(H2,19,20,22).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea?
1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea has a molecular weight of 318.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 91812788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).