1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea

C18H33N3O2 — CID 78885890

IUPAC1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea
SMILESCC1CCN(CCCNC(=O)N(CC2CCOC2)C2CC2)CC1
InChIInChI=1S/C18H33N3O2/c1-15-5-10-20(11-6-15)9-2-8-19-18(22)21(17-3-4-17)13-16-7-12-23-14-16/h15-17H,2-14H2,1H3,(H,19,22)
InChIKeyGNAZTTMWXXPEQW-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.32
Rot. Bonds7

About 1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea

1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea (PubChem CID 78885890) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea
PubChem CID78885890
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea
SMILESCC1CCN(CCCNC(=O)N(CC2CCOC2)C2CC2)CC1
InChIInChI=1S/C18H33N3O2/c1-15-5-10-20(11-6-15)9-2-8-19-18(22)21(17-3-4-17)13-16-7-12-23-14-16/h15-17H,2-14H2,1H3,(H,19,22)
InChIKeyGNAZTTMWXXPEQW-UHFFFAOYSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea (CID 78885890) is 1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea is CC1CCN(CCCNC(=O)N(CC2CCOC2)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea?
The InChIKey is GNAZTTMWXXPEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-15-5-10-20(11-6-15)9-2-8-19-18(22)21(17-3-4-17)13-16-7-12-23-14-16/h15-17H,2-14H2,1H3,(H,19,22).
What are the key properties of 1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea?
1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea has a molecular weight of 323.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 78885890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).