1-(1-ethylpiperidin-4-yl)-3-propylurea

C11H23N3O — CID 6468806

IUPAC1-(1-ethylpiperidin-4-yl)-3-propylurea
SMILESCCCNC(=O)NC1CCN(CC)CC1
InChIInChI=1S/C11H23N3O/c1-3-7-12-11(15)13-10-5-8-14(4-2)9-6-10/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyQSRRLFAVLDGIAB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.18
Rot. Bonds4

About 1-(1-ethylpiperidin-4-yl)-3-propylurea

1-(1-ethylpiperidin-4-yl)-3-propylurea (PubChem CID 6468806) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-propylurea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-propylurea
PubChem CID6468806
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-propylurea
SMILESCCCNC(=O)NC1CCN(CC)CC1
InChIInChI=1S/C11H23N3O/c1-3-7-12-11(15)13-10-5-8-14(4-2)9-6-10/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyQSRRLFAVLDGIAB-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-propylurea?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-propylurea (CID 6468806) is 1-(1-ethylpiperidin-4-yl)-3-propylurea.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-propylurea?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-propylurea is CCCNC(=O)NC1CCN(CC)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-propylurea?
The InChIKey is QSRRLFAVLDGIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-7-12-11(15)13-10-5-8-14(4-2)9-6-10/h10H,3-9H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-propylurea?
1-(1-ethylpiperidin-4-yl)-3-propylurea has a molecular weight of 213.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-propylurea is sourced from PubChem (CID 6468806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).