1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea

C15H29N3O2 — CID 47481518

IUPAC1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
SMILESCCC(NC(=O)NC(C)C(=O)N1CCCCC1)C(C)C
InChIInChI=1S/C15H29N3O2/c1-5-13(11(2)3)17-15(20)16-12(4)14(19)18-9-7-6-8-10-18/h11-13H,5-10H2,1-4H3,(H2,16,17,20)
InChIKeyOQDAPPCFXSHGAH-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.12
Rot. Bonds5

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

1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea (PubChem CID 47481518) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
PubChem CID47481518
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
SMILESCCC(NC(=O)NC(C)C(=O)N1CCCCC1)C(C)C
InChIInChI=1S/C15H29N3O2/c1-5-13(11(2)3)17-15(20)16-12(4)14(19)18-9-7-6-8-10-18/h11-13H,5-10H2,1-4H3,(H2,16,17,20)
InChIKeyOQDAPPCFXSHGAH-UHFFFAOYSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 61470917
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
CID 79248979
1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea
CID 113229167
(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
CID 119292063
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 113233582
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 113408600
2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea (CID 47481518) is 1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea is CCC(NC(=O)NC(C)C(=O)N1CCCCC1)C(C)C.
What is the InChIKey of 1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea?
The InChIKey is OQDAPPCFXSHGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-13(11(2)3)17-15(20)16-12(4)14(19)18-9-7-6-8-10-18/h11-13H,5-10H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea?
1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea has a molecular weight of 283.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 47481518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).