[3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea

C16H28N4O3 — CID 146084296

IUPAC[3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea
SMILESCC(C)(C)C(NC(N)=O)C(=O)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C16H28N4O3/c1-16(2,3)13(18-15(17)23)14(22)19-9-6-11(7-10-19)20-8-4-5-12(20)21/h11,13H,4-10H2,1-3H3,(H3,17,18,23)
InChIKeyAQYZGKSFUCWTNL-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.68
Rot. Bonds3

About [3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea

[3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea (PubChem CID 146084296) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is [3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea.

Molecular Properties

Compound Name[3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea
PubChem CID146084296
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name[3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea
SMILESCC(C)(C)C(NC(N)=O)C(=O)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C16H28N4O3/c1-16(2,3)13(18-15(17)23)14(22)19-9-6-11(7-10-19)20-8-4-5-12(20)21/h11,13H,4-10H2,1-3H3,(H3,17,18,23)
InChIKeyAQYZGKSFUCWTNL-UHFFFAOYSA-N
XLogP0.68
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea with MolForge

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Related Compounds

2-Isobutyl-8-[(2-oxoimidazolidin-4-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72917943
2-Propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42677384
2-(2-Methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
CID 91633691
1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 124052802
1-[1-(3,3-Dimethylbutanoyl)piperidin-4-YL]-5-oxo-N-(propan-2-YL)pyrrolidine-2-carboxamide
CID 124078454
8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide
CID 134788417
1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one
CID 91645588
3-[2-[(5S)-7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea
CID 97116583
2-(1-Ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl)acetamide
CID 118759638
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(3,3-dimethylbutyl)piperazine-1-carboxamide
CID 164633487
(2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 164634146
2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide
CID 132971508

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea?
The IUPAC name of [3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea (CID 146084296) is [3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea.
What is the SMILES notation for [3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea?
The canonical SMILES for [3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea is CC(C)(C)C(NC(N)=O)C(=O)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of [3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea?
The InChIKey is AQYZGKSFUCWTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-16(2,3)13(18-15(17)23)14(22)19-9-6-11(7-10-19)20-8-4-5-12(20)21/h11,13H,4-10H2,1-3H3,(H3,17,18,23).
What are the key properties of [3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea?
[3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea has a molecular weight of 324.43 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butan-2-yl]urea is sourced from PubChem (CID 146084296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).