[1-(2-aminopentanoyl)piperidin-2-yl]methylurea

C12H24N4O2 — CID 119313331

IUPAC[1-(2-aminopentanoyl)piperidin-2-yl]methylurea
SMILESCCCC(N)C(=O)N1CCCCC1CNC(N)=O
InChIInChI=1S/C12H24N4O2/c1-2-5-10(13)11(17)16-7-4-3-6-9(16)8-15-12(14)18/h9-10H,2-8,13H2,1H3,(H3,14,15,18)
InChIKeyBETDAYQCNCJQHK-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.16
Rot. Bonds5

About [1-(2-aminopentanoyl)piperidin-2-yl]methylurea

[1-(2-aminopentanoyl)piperidin-2-yl]methylurea (PubChem CID 119313331) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is [1-(2-aminopentanoyl)piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[1-(2-aminopentanoyl)piperidin-2-yl]methylurea
PubChem CID119313331
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name[1-(2-aminopentanoyl)piperidin-2-yl]methylurea
SMILESCCCC(N)C(=O)N1CCCCC1CNC(N)=O
InChIInChI=1S/C12H24N4O2/c1-2-5-10(13)11(17)16-7-4-3-6-9(16)8-15-12(14)18/h9-10H,2-8,13H2,1H3,(H3,14,15,18)
InChIKeyBETDAYQCNCJQHK-UHFFFAOYSA-N
XLogP0.16
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminopentanoyl)piperidin-2-yl]methylurea?
The IUPAC name of [1-(2-aminopentanoyl)piperidin-2-yl]methylurea (CID 119313331) is [1-(2-aminopentanoyl)piperidin-2-yl]methylurea.
What is the SMILES notation for [1-(2-aminopentanoyl)piperidin-2-yl]methylurea?
The canonical SMILES for [1-(2-aminopentanoyl)piperidin-2-yl]methylurea is CCCC(N)C(=O)N1CCCCC1CNC(N)=O.
What is the InChIKey of [1-(2-aminopentanoyl)piperidin-2-yl]methylurea?
The InChIKey is BETDAYQCNCJQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-2-5-10(13)11(17)16-7-4-3-6-9(16)8-15-12(14)18/h9-10H,2-8,13H2,1H3,(H3,14,15,18).
What are the key properties of [1-(2-aminopentanoyl)piperidin-2-yl]methylurea?
[1-(2-aminopentanoyl)piperidin-2-yl]methylurea has a molecular weight of 256.35 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminopentanoyl)piperidin-2-yl]methylurea is sourced from PubChem (CID 119313331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).