1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea

C16H26N4O2 — CID 110894090

IUPAC1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
SMILESCC(CNC(=O)NCCO)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H26N4O2/c1-14(13-18-16(22)17-7-12-21)19-8-10-20(11-9-19)15-5-3-2-4-6-15/h2-6,14,21H,7-13H2,1H3,(H2,17,18,22)
InChIKeyMSGRPJLUZGSKPX-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.49
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea

1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea (PubChem CID 110894090) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
PubChem CID110894090
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
SMILESCC(CNC(=O)NCCO)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H26N4O2/c1-14(13-18-16(22)17-7-12-21)19-8-10-20(11-9-19)15-5-3-2-4-6-15/h2-6,14,21H,7-13H2,1H3,(H2,17,18,22)
InChIKeyMSGRPJLUZGSKPX-UHFFFAOYSA-N
XLogP0.49
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
1-oxido-N-[2-(4-phenylpiperazin-1-yl)propyl]pyridin-1-ium-2-carboxamide
CID 60511961
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 55694698
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 167961771
2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694971
3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694970
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 60553736
4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120597574

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea (CID 110894090) is 1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea is CC(CNC(=O)NCCO)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea?
The InChIKey is MSGRPJLUZGSKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-14(13-18-16(22)17-7-12-21)19-8-10-20(11-9-19)15-5-3-2-4-6-15/h2-6,14,21H,7-13H2,1H3,(H2,17,18,22).
What are the key properties of 1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea?
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea has a molecular weight of 306.41 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea is sourced from PubChem (CID 110894090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).