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

C15H22N4O3 — CID 18159287

IUPAC[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCOc1ccc(N2CCN(C(=O)C(C)NC(N)=O)CC2)cc1
InChIInChI=1S/C15H22N4O3/c1-11(17-15(16)21)14(20)19-9-7-18(8-10-19)12-3-5-13(22-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H3,16,17,21)
InChIKeyMUBONWIPAQZNJN-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.40
Rot. Bonds4

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

[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea (PubChem CID 18159287) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is [1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
PubChem CID18159287
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCOc1ccc(N2CCN(C(=O)C(C)NC(N)=O)CC2)cc1
InChIInChI=1S/C15H22N4O3/c1-11(17-15(16)21)14(20)19-9-7-18(8-10-19)12-3-5-13(22-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H3,16,17,21)
InChIKeyMUBONWIPAQZNJN-UHFFFAOYSA-N
XLogP0.40
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51166216
2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110416964
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 18545089
(3S)-N-[(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42534666
(2S)-2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 7428494
4-tert-butyl-N-[(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55944109
4-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 87704248
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
N-butan-2-yl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108941820
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 7759872

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
The IUPAC name of [1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea (CID 18159287) is [1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for [1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
The canonical SMILES for [1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea is COc1ccc(N2CCN(C(=O)C(C)NC(N)=O)CC2)cc1.
What is the InChIKey of [1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
The InChIKey is MUBONWIPAQZNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11(17-15(16)21)14(20)19-9-7-18(8-10-19)12-3-5-13(22-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H3,16,17,21).
What are the key properties of [1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea has a molecular weight of 306.37 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 18159287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).