[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea

C12H22N4O3 — CID 47102273

IUPAC[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCC(C)C(=O)N1CCN(C(=O)C(C)NC(N)=O)CC1
InChIInChI=1S/C12H22N4O3/c1-8(2)10(17)15-4-6-16(7-5-15)11(18)9(3)14-12(13)19/h8-9H,4-7H2,1-3H3,(H3,13,14,19)
InChIKeyRCWAZKMKBJUYOY-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.63
Rot. Bonds3

About [1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea

[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea (PubChem CID 47102273) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is [1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
PubChem CID47102273
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCC(C)C(=O)N1CCN(C(=O)C(C)NC(N)=O)CC1
InChIInChI=1S/C12H22N4O3/c1-8(2)10(17)15-4-6-16(7-5-15)11(18)9(3)14-12(13)19/h8-9H,4-7H2,1-3H3,(H3,13,14,19)
InChIKeyRCWAZKMKBJUYOY-UHFFFAOYSA-N
XLogP-0.63
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 95613270
[1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 79410835
[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 112764706
[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 18159287
2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid
CID 116681220
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
(3R)-1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118974
N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
CID 47127249
2-amino-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
CID 61267195
[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 3313073
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 148838219

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
The IUPAC name of [1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea (CID 47102273) is [1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for [1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
The canonical SMILES for [1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea is CC(C)C(=O)N1CCN(C(=O)C(C)NC(N)=O)CC1.
What is the InChIKey of [1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
The InChIKey is RCWAZKMKBJUYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-8(2)10(17)15-4-6-16(7-5-15)11(18)9(3)14-12(13)19/h8-9H,4-7H2,1-3H3,(H3,13,14,19).
What are the key properties of [1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea has a molecular weight of 270.33 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 47102273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).