1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea

C19H30N4O2 — CID 111722525

IUPAC1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCN1CCN(c2ccccc2NC(=O)N(CCCCO)C2CC2)CC1
InChIInChI=1S/C19H30N4O2/c1-21-11-13-22(14-12-21)18-7-3-2-6-17(18)20-19(25)23(16-8-9-16)10-4-5-15-24/h2-3,6-7,16,24H,4-5,8-15H2,1H3,(H,20,25)
InChIKeyZWMPRLKIGHRERN-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.21
Rot. Bonds7

About 1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea

1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea (PubChem CID 111722525) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
PubChem CID111722525
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCN1CCN(c2ccccc2NC(=O)N(CCCCO)C2CC2)CC1
InChIInChI=1S/C19H30N4O2/c1-21-11-13-22(14-12-21)18-7-3-2-6-17(18)20-19(25)23(16-8-9-16)10-4-5-15-24/h2-3,6-7,16,24H,4-5,8-15H2,1H3,(H,20,25)
InChIKeyZWMPRLKIGHRERN-UHFFFAOYSA-N
XLogP2.21
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630138
1-cyclopropyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1-(4-hydroxybutyl)urea
CID 111754705
1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 71920717
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea
CID 111754289
1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methyl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 71876255
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea
CID 111430067
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 110907910
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 102865703
1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111425534
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630126

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
The IUPAC name of 1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea (CID 111722525) is 1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea is CN1CCN(c2ccccc2NC(=O)N(CCCCO)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
The InChIKey is ZWMPRLKIGHRERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21-11-13-22(14-12-21)18-7-3-2-6-17(18)20-19(25)23(16-8-9-16)10-4-5-15-24/h2-3,6-7,16,24H,4-5,8-15H2,1H3,(H,20,25).
What are the key properties of 1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea has a molecular weight of 346.47 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea is sourced from PubChem (CID 111722525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).