[6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea

C19H30N4O2 — CID 9162651

IUPAC[6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea
SMILESCc1ccccc1CN1CCN(C(=O)CCCCCNC(N)=O)CC1
InChIInChI=1S/C19H30N4O2/c1-16-7-4-5-8-17(16)15-22-11-13-23(14-12-22)18(24)9-3-2-6-10-21-19(20)25/h4-5,7-8H,2-3,6,9-15H2,1H3,(H3,20,21,25)
InChIKeyUKDFDMDVUVRMSO-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.87
Rot. Bonds8

About [6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea

[6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea (PubChem CID 9162651) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea.

Molecular Properties

Compound Name[6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea
PubChem CID9162651
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea
SMILESCc1ccccc1CN1CCN(C(=O)CCCCCNC(N)=O)CC1
InChIInChI=1S/C19H30N4O2/c1-16-7-4-5-8-17(16)15-22-11-13-23(14-12-22)18(24)9-3-2-6-10-21-19(20)25/h4-5,7-8H,2-3,6,9-15H2,1H3,(H3,20,21,25)
InChIKeyUKDFDMDVUVRMSO-UHFFFAOYSA-N
XLogP1.87
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]urea
CID 30345483
[5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea
CID 56782456
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentyl]urea
CID 9271204
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
2-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 8641971
[6-oxo-6-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]hexyl]urea
CID 9474424
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
3-[6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 27841164
1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea
CID 27841214
(E)-3-(4-methoxyphenyl)-N-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]prop-2-enamide
CID 8642433
N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 38991392
N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]adamantane-1-carboxamide
CID 34739578

Frequently Asked Questions

What is the IUPAC name of [6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea?
The IUPAC name of [6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea (CID 9162651) is [6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea.
What is the SMILES notation for [6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea?
The canonical SMILES for [6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea is Cc1ccccc1CN1CCN(C(=O)CCCCCNC(N)=O)CC1.
What is the InChIKey of [6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea?
The InChIKey is UKDFDMDVUVRMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-16-7-4-5-8-17(16)15-22-11-13-23(14-12-22)18(24)9-3-2-6-10-21-19(20)25/h4-5,7-8H,2-3,6,9-15H2,1H3,(H3,20,21,25).
What are the key properties of [6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea?
[6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea has a molecular weight of 346.48 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea is sourced from PubChem (CID 9162651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).