1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea

C18H28N4O2 — CID 110907910

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCN1CCN(c2ccccc2NC(=O)NCC2(O)CCCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-21-10-12-22(13-11-21)16-7-3-2-6-15(16)20-17(23)19-14-18(24)8-4-5-9-18/h2-3,6-7,24H,4-5,8-14H2,1H3,(H2,19,20,23)
InChIKeyHGSUVGKEYUVLSI-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.87
Rot. Bonds4

About 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea

1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea (PubChem CID 110907910) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
PubChem CID110907910
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCN1CCN(c2ccccc2NC(=O)NCC2(O)CCCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-21-10-12-22(13-11-21)16-7-3-2-6-15(16)20-17(23)19-14-18(24)8-4-5-9-18/h2-3,6-7,24H,4-5,8-14H2,1H3,(H2,19,20,23)
InChIKeyHGSUVGKEYUVLSI-UHFFFAOYSA-N
XLogP1.87
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 72914253
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111572950
1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111425534
N-[2-(4-methylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 9119487
1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111462816
1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
CID 110013035
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630138
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
[2-(4-methylpiperazin-1-yl)phenyl]thiourea
CID 4275618
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-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea (CID 110907910) is 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea is CN1CCN(c2ccccc2NC(=O)NCC2(O)CCCC2)CC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
The InChIKey is HGSUVGKEYUVLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21-10-12-22(13-11-21)16-7-3-2-6-15(16)20-17(23)19-14-18(24)8-4-5-9-18/h2-3,6-7,24H,4-5,8-14H2,1H3,(H2,19,20,23).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea has a molecular weight of 332.45 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea is sourced from PubChem (CID 110907910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).