1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea

C13H25N3O2 — CID 110312214

IUPAC1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
SMILESCC(C)CCNC(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-11(2)6-7-14-13(18)15-10-12(17)16-8-4-3-5-9-16/h11H,3-10H2,1-2H3,(H2,14,15,18)
InChIKeyABCPQTYRYJMEKI-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.34
Rot. Bonds5

About 1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea

1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea (PubChem CID 110312214) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
PubChem CID110312214
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
SMILESCC(C)CCNC(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-11(2)6-7-14-13(18)15-10-12(17)16-8-4-3-5-9-16/h11H,3-10H2,1-2H3,(H2,14,15,18)
InChIKeyABCPQTYRYJMEKI-UHFFFAOYSA-N
XLogP1.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942380
1,3-bis(3-methylbutyl)urea
CID 22563958
1-(azepan-1-yl)-2-(5-methylhexylamino)ethanone
CID 113287464
2-[[2-(azepan-1-yl)-2-oxoethyl]carbamoylamino]propanoic acid
CID 43823825
1-ethyl-3-(3-methylbutyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110977508
2-methyl-3-oxo-3-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 114898939
N-(3-methylbutyl)-1,4-thiazepane-4-carboxamide
CID 86999010
1-(2-methylpropyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)thiourea
CID 115576760
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 84515833
(2S)-2-amino-N-[2-(azepan-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82959424
N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide
CID 83015118
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea (CID 110312214) is 1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea is CC(C)CCNC(=O)NCC(=O)N1CCCCC1.
What is the InChIKey of 1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea?
The InChIKey is ABCPQTYRYJMEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2)6-7-14-13(18)15-10-12(17)16-8-4-3-5-9-16/h11H,3-10H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea?
1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea has a molecular weight of 255.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 110312214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).