1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea

C19H28N4O2 — CID 4943688

IUPAC1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H28N4O2/c1-22-11-13-23(14-12-22)18(24)16-9-5-6-10-17(16)21-19(25)20-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H2,20,21,25)
InChIKeyAAUQHXZZSVAPDF-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.53
Rot. Bonds3

About 1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea

1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea (PubChem CID 4943688) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea
PubChem CID4943688
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H28N4O2/c1-22-11-13-23(14-12-22)18(24)16-9-5-6-10-17(16)21-19(25)20-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H2,20,21,25)
InChIKeyAAUQHXZZSVAPDF-UHFFFAOYSA-N
XLogP2.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea
CID 170862045
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077257
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970623
3-cyclohexyl-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 4934499
ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119944988
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109044727

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea (CID 4943688) is 1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea is CN1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea?
The InChIKey is AAUQHXZZSVAPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-22-11-13-23(14-12-22)18(24)16-9-5-6-10-17(16)21-19(25)20-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H2,20,21,25).
What are the key properties of 1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea?
1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea has a molecular weight of 344.46 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 4943688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).