1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea

C19H32N4O2 — CID 111507885

IUPAC1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
SMILESCC(CNC(=O)NCC(C)(O)c1ccccc1)CN1CCN(C)CC1
InChIInChI=1S/C19H32N4O2/c1-16(14-23-11-9-22(3)10-12-23)13-20-18(24)21-15-19(2,25)17-7-5-4-6-8-17/h4-8,16,25H,9-15H2,1-3H3,(H2,20,21,24)
InChIKeyQIPJNZSIVBIWEK-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.08
Rot. Bonds7

About 1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea

1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea (PubChem CID 111507885) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
PubChem CID111507885
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
SMILESCC(CNC(=O)NCC(C)(O)c1ccccc1)CN1CCN(C)CC1
InChIInChI=1S/C19H32N4O2/c1-16(14-23-11-9-22(3)10-12-23)13-20-18(24)21-15-19(2,25)17-7-5-4-6-8-17/h4-8,16,25H,9-15H2,1-3H3,(H2,20,21,24)
InChIKeyQIPJNZSIVBIWEK-UHFFFAOYSA-N
XLogP1.08
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 75421066
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 111505087
1-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 97087331
1-ethyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methyl-2-phenylpropyl)guanidine
CID 111948667
2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 66175959
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
1-(2-hydroxy-2-phenylpropyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 111334586
3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
CID 119902468
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
CID 86823532
3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide
CID 86869523
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide
CID 97213356
1-[(3-cyanophenyl)methyl]-3-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
CID 96520093

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea?
The IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea (CID 111507885) is 1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea is CC(CNC(=O)NCC(C)(O)c1ccccc1)CN1CCN(C)CC1.
What is the InChIKey of 1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea?
The InChIKey is QIPJNZSIVBIWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-16(14-23-11-9-22(3)10-12-23)13-20-18(24)21-15-19(2,25)17-7-5-4-6-8-17/h4-8,16,25H,9-15H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea?
1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea has a molecular weight of 348.49 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea is sourced from PubChem (CID 111507885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).