1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea

C19H30N4O2 — CID 111425534

IUPAC1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCN1CCN(c2ccccc2NC(=O)NCC(O)C2CCCC2)CC1
InChIInChI=1S/C19H30N4O2/c1-22-10-12-23(13-11-22)17-9-5-4-8-16(17)21-19(25)20-14-18(24)15-6-2-3-7-15/h4-5,8-9,15,18,24H,2-3,6-7,10-14H2,1H3,(H2,20,21,25)
InChIKeyCCTQNNWZVBCSLL-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.11
Rot. Bonds5

About 1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea

1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea (PubChem CID 111425534) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
PubChem CID111425534
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCN1CCN(c2ccccc2NC(=O)NCC(O)C2CCCC2)CC1
InChIInChI=1S/C19H30N4O2/c1-22-10-12-23(13-11-22)17-9-5-4-8-16(17)21-19(25)20-14-18(24)15-6-2-3-7-15/h4-5,8-9,15,18,24H,2-3,6-7,10-14H2,1H3,(H2,20,21,25)
InChIKeyCCTQNNWZVBCSLL-UHFFFAOYSA-N
XLogP2.11
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111462816
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 110907910
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630138
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 71920717
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111473354
1-(2-cyclohexylethyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108888594
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630126
1-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-cyclopentylurea
CID 171547125

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
The IUPAC name of 1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea (CID 111425534) is 1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea is CN1CCN(c2ccccc2NC(=O)NCC(O)C2CCCC2)CC1.
What is the InChIKey of 1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
The InChIKey is CCTQNNWZVBCSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-22-10-12-23(13-11-22)17-9-5-4-8-16(17)21-19(25)20-14-18(24)15-6-2-3-7-15/h4-5,8-9,15,18,24H,2-3,6-7,10-14H2,1H3,(H2,20,21,25).
What are the key properties of 1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea?
1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea has a molecular weight of 346.47 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea is sourced from PubChem (CID 111425534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).