1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea

C13H25N3O2 — CID 113233582

IUPAC1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
SMILESCCN(CC)C(=O)NC(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-4-15(5-2)13(18)14-11(3)12(17)16-9-7-6-8-10-16/h11H,4-10H2,1-3H3,(H,14,18)
InChIKeyQTPUZQUUGIRTRM-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.44
Rot. Bonds4

About 1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea

1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea (PubChem CID 113233582) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
PubChem CID113233582
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
SMILESCCN(CC)C(=O)NC(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-4-15(5-2)13(18)14-11(3)12(17)16-9-7-6-8-10-16/h11H,4-10H2,1-3H3,(H,14,18)
InChIKeyQTPUZQUUGIRTRM-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347785
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 113408721
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
2-amino-2-ethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79809452
(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
CID 119292063
1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 47481518
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
S-[2-[2-cyclohexylethyl-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl]amino]ethyl] ethanethioate
CID 59923464
2,2,2-trifluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62490280

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea (CID 113233582) is 1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea is CCN(CC)C(=O)NC(C)C(=O)N1CCCCC1.
What is the InChIKey of 1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea?
The InChIKey is QTPUZQUUGIRTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-15(5-2)13(18)14-11(3)12(17)16-9-7-6-8-10-16/h11H,4-10H2,1-3H3,(H,14,18).
What are the key properties of 1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea?
1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea has a molecular weight of 255.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 113233582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).