1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea

C13H25N3O2 — CID 115692831

IUPAC1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea
SMILESCC(C)(C)NC(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)15-12(18)14-8-7-11(17)16-9-5-4-6-10-16/h4-10H2,1-3H3,(H2,14,15,18)
InChIKeyCHEDHZWSWGFZFZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.49
Rot. Bonds3

About 1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea

1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea (PubChem CID 115692831) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea
PubChem CID115692831
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea
SMILESCC(C)(C)NC(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)15-12(18)14-8-7-11(17)16-9-5-4-6-10-16/h4-10H2,1-3H3,(H2,14,15,18)
InChIKeyCHEDHZWSWGFZFZ-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994420
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
N-[3-(tert-butylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 115609267
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2S)-3-methylbutan-2-yl]urea
CID 94820370
2-[(2-methylpropan-2-yl)oxy]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 112626628
(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103996387
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
N-tert-butyl-2-[[ethylamino-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methylidene]amino]acetamide
CID 111366235
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994413
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea (CID 115692831) is 1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea is CC(C)(C)NC(=O)NCCC(=O)N1CCCCC1.
What is the InChIKey of 1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
The InChIKey is CHEDHZWSWGFZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,3)15-12(18)14-8-7-11(17)16-9-5-4-6-10-16/h4-10H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea has a molecular weight of 255.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 115692831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).