1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea

C18H24N4O3 — CID 17476451

IUPAC1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea
SMILESO=C(NCCC(=O)N1CCN(C(=O)C2CC2)CC1)Nc1ccccc1
InChIInChI=1S/C18H24N4O3/c23-16(8-9-19-18(25)20-15-4-2-1-3-5-15)21-10-12-22(13-11-21)17(24)14-6-7-14/h1-5,14H,6-13H2,(H2,19,20,25)
InChIKeyYEUUZHXUGKBJKG-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.28
Rot. Bonds5

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

1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea (PubChem CID 17476451) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea
PubChem CID17476451
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea
SMILESO=C(NCCC(=O)N1CCN(C(=O)C2CC2)CC1)Nc1ccccc1
InChIInChI=1S/C18H24N4O3/c23-16(8-9-19-18(25)20-15-4-2-1-3-5-15)21-10-12-22(13-11-21)17(24)14-6-7-14/h1-5,14H,6-13H2,(H2,19,20,25)
InChIKeyYEUUZHXUGKBJKG-UHFFFAOYSA-N
XLogP1.28
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea
CID 110287264
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-oxopropyl]-3-phenylurea
CID 66794348
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094262
1-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylurea
CID 9450619
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-(4-ethoxyphenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea
CID 51129471
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
3-(benzenesulfonyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 17449768
1-[3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-3-(4-bromophenyl)urea;hydrochloride
CID 119423845
benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 42697137
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea?
The IUPAC name of 1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea (CID 17476451) is 1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea?
The canonical SMILES for 1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea is O=C(NCCC(=O)N1CCN(C(=O)C2CC2)CC1)Nc1ccccc1.
What is the InChIKey of 1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea?
The InChIKey is YEUUZHXUGKBJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-16(8-9-19-18(25)20-15-4-2-1-3-5-15)21-10-12-22(13-11-21)17(24)14-6-7-14/h1-5,14H,6-13H2,(H2,19,20,25).
What are the key properties of 1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea?
1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea has a molecular weight of 344.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea is sourced from PubChem (CID 17476451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).