1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea

C18H21N3O2 — CID 17455328

IUPAC1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea
SMILESCC(=O)N1CCC(NC(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C18H21N3O2/c1-13(22)21-11-9-15(10-12-21)19-18(23)20-17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15H,9-12H2,1H3,(H2,19,20,23)
InChIKeyFKIJRDJMNHUYSV-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.97
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea

1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea (PubChem CID 17455328) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea
PubChem CID17455328
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea
SMILESCC(=O)N1CCC(NC(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C18H21N3O2/c1-13(22)21-11-9-15(10-12-21)19-18(23)20-17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15H,9-12H2,1H3,(H2,19,20,23)
InChIKeyFKIJRDJMNHUYSV-UHFFFAOYSA-N
XLogP2.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea (CID 17455328) is 1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea is CC(=O)N1CCC(NC(=O)Nc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea?
The InChIKey is FKIJRDJMNHUYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(22)21-11-9-15(10-12-21)19-18(23)20-17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15H,9-12H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea?
1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea has a molecular weight of 311.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 17455328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).