1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea

C16H22N4O3 — CID 110287264

IUPAC1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H22N4O3/c1-13(21)19-9-11-20(12-10-19)15(22)7-8-17-16(23)18-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H2,17,18,23)
InChIKeyUPRFNNWUOILXLV-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.89
Rot. Bonds4

About 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea (PubChem CID 110287264) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea
PubChem CID110287264
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H22N4O3/c1-13(21)19-9-11-20(12-10-19)15(22)7-8-17-16(23)18-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H2,17,18,23)
InChIKeyUPRFNNWUOILXLV-UHFFFAOYSA-N
XLogP0.89
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea
CID 17476451
1-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylurea
CID 9450619
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-oxopropyl]-3-phenylurea
CID 66794348
1-(4-ethoxyphenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea
CID 51129471
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide
CID 56783474
2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide
CID 119849524
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108
1-[3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylurea
CID 24614323
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110626396
1-(4-ethyl-3-nitrophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea
CID 86874391

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea?
The IUPAC name of 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea (CID 110287264) is 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea?
The canonical SMILES for 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea is CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea?
The InChIKey is UPRFNNWUOILXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-13(21)19-9-11-20(12-10-19)15(22)7-8-17-16(23)18-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H2,17,18,23).
What are the key properties of 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea?
1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea has a molecular weight of 318.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea is sourced from PubChem (CID 110287264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).