1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea

C18H28N4O3 — CID 95284102

IUPAC1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea
SMILESCOC[C@H](C)NC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N4O3/c1-15(14-25-2)20-18(24)19-9-8-17(23)22-12-10-21(11-13-22)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H2,19,20,24)/t15-/m0/s1
InChIKeyVOJOCJDYNXFFMT-HNNXBMFYSA-N
MW348.45 g/mol
LogP1.06
Rot. Bonds7

About 1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea

1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea (PubChem CID 95284102) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea
PubChem CID95284102
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea
SMILESCOC[C@H](C)NC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N4O3/c1-15(14-25-2)20-18(24)19-9-8-17(23)22-12-10-21(11-13-22)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H2,19,20,24)/t15-/m0/s1
InChIKeyVOJOCJDYNXFFMT-HNNXBMFYSA-N
XLogP1.06
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea with MolForge

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Related Compounds

1-(2-methoxyethyl)-2-methyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110940839
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride
CID 119870712
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
1-(4-ethoxyphenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea
CID 51129471
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 110998799
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110998798
2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 60615120
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111072413

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea?
The IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea (CID 95284102) is 1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea.
What is the SMILES notation for 1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea?
The canonical SMILES for 1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea is COC[C@H](C)NC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea?
The InChIKey is VOJOCJDYNXFFMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-15(14-25-2)20-18(24)19-9-8-17(23)22-12-10-21(11-13-22)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H2,19,20,24)/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea?
1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea has a molecular weight of 348.45 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea is sourced from PubChem (CID 95284102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).