1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea

C10H19N3O2 — CID 59006503

IUPAC1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
SMILESCNC(=O)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C10H19N3O2/c1-8(12-10(15)11-2)9(14)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H2,11,12,15)/t8-/m0/s1
InChIKeyWSQIIAHIQQKFES-QMMMGPOBSA-N
MW213.28 g/mol
LogP0.32
Rot. Bonds2

About 1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea

1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea (PubChem CID 59006503) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
PubChem CID59006503
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
SMILESCNC(=O)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C10H19N3O2/c1-8(12-10(15)11-2)9(14)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H2,11,12,15)/t8-/m0/s1
InChIKeyWSQIIAHIQQKFES-QMMMGPOBSA-N
XLogP0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
The IUPAC name of 1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea (CID 59006503) is 1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea is CNC(=O)N[C@@H](C)C(=O)N1CCCCC1.
What is the InChIKey of 1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
The InChIKey is WSQIIAHIQQKFES-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(12-10(15)11-2)9(14)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H2,11,12,15)/t8-/m0/s1.
What are the key properties of 1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea has a molecular weight of 213.28 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea is sourced from PubChem (CID 59006503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).