(3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea

C10H21N3O2 — CID 57150920

IUPAC(3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea
SMILESCC(NC(N)=O)C(O)CN1CCCCC1
InChIInChI=1S/C10H21N3O2/c1-8(12-10(11)15)9(14)7-13-5-3-2-4-6-13/h8-9,14H,2-7H2,1H3,(H3,11,12,15)
InChIKeyKDJVOOXYTDRXSI-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.11
Rot. Bonds4

About (3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea

(3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea (PubChem CID 57150920) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea.

Molecular Properties

Compound Name(3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea
PubChem CID57150920
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea
SMILESCC(NC(N)=O)C(O)CN1CCCCC1
InChIInChI=1S/C10H21N3O2/c1-8(12-10(11)15)9(14)7-13-5-3-2-4-6-13/h8-9,14H,2-7H2,1H3,(H3,11,12,15)
InChIKeyKDJVOOXYTDRXSI-UHFFFAOYSA-N
XLogP-0.11
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea?
The IUPAC name of (3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea (CID 57150920) is (3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea.
What is the SMILES notation for (3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea?
The canonical SMILES for (3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea is CC(NC(N)=O)C(O)CN1CCCCC1.
What is the InChIKey of (3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea?
The InChIKey is KDJVOOXYTDRXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(12-10(11)15)9(14)7-13-5-3-2-4-6-13/h8-9,14H,2-7H2,1H3,(H3,11,12,15).
What are the key properties of (3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea?
(3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea has a molecular weight of 215.30 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-piperidin-1-ylbutan-2-yl)urea is sourced from PubChem (CID 57150920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).