[(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea

C12H24N4O3 — CID 95613270

IUPAC[(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCC[C@@H](O)CN1CCN(C(=O)[C@@H](C)NC(N)=O)CC1
InChIInChI=1S/C12H24N4O3/c1-3-10(17)8-15-4-6-16(7-5-15)11(18)9(2)14-12(13)19/h9-10,17H,3-8H2,1-2H3,(H3,13,14,19)/t9-,10-/m1/s1
InChIKeyFIBYTTAHEOWWNV-NXEZZACHSA-N
MW272.35 g/mol
LogP-1.04
Rot. Bonds5

About [(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea

[(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea (PubChem CID 95613270) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is [(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
PubChem CID95613270
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name[(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCC[C@@H](O)CN1CCN(C(=O)[C@@H](C)NC(N)=O)CC1
InChIInChI=1S/C12H24N4O3/c1-3-10(17)8-15-4-6-16(7-5-15)11(18)9(2)14-12(13)19/h9-10,17H,3-8H2,1-2H3,(H3,13,14,19)/t9-,10-/m1/s1
InChIKeyFIBYTTAHEOWWNV-NXEZZACHSA-N
XLogP-1.04
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea?
The IUPAC name of [(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea (CID 95613270) is [(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for [(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea?
The canonical SMILES for [(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea is CC[C@@H](O)CN1CCN(C(=O)[C@@H](C)NC(N)=O)CC1.
What is the InChIKey of [(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea?
The InChIKey is FIBYTTAHEOWWNV-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-3-10(17)8-15-4-6-16(7-5-15)11(18)9(2)14-12(13)19/h9-10,17H,3-8H2,1-2H3,(H3,13,14,19)/t9-,10-/m1/s1.
What are the key properties of [(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea?
[(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea has a molecular weight of 272.35 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 95613270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).