1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea

C15H27N3O2 — CID 84599585

IUPAC1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea
SMILESC=CCN1CCC(NC(=O)NCC2(OC)CCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-3-9-18-10-5-13(6-11-18)17-14(19)16-12-15(20-2)7-4-8-15/h3,13H,1,4-12H2,2H3,(H2,16,17,19)
InChIKeyKWNLXZCQPWXLHT-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.51
Rot. Bonds6

About 1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea

1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea (PubChem CID 84599585) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea
PubChem CID84599585
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea
SMILESC=CCN1CCC(NC(=O)NCC2(OC)CCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-3-9-18-10-5-13(6-11-18)17-14(19)16-12-15(20-2)7-4-8-15/h3,13H,1,4-12H2,2H3,(H2,16,17,19)
InChIKeyKWNLXZCQPWXLHT-UHFFFAOYSA-N
XLogP1.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea?
The IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea (CID 84599585) is 1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea is C=CCN1CCC(NC(=O)NCC2(OC)CCC2)CC1.
What is the InChIKey of 1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea?
The InChIKey is KWNLXZCQPWXLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-9-18-10-5-13(6-11-18)17-14(19)16-12-15(20-2)7-4-8-15/h3,13H,1,4-12H2,2H3,(H2,16,17,19).
What are the key properties of 1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea?
1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea has a molecular weight of 281.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea is sourced from PubChem (CID 84599585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).