1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea

C14H21N3O3 — CID 128907850

IUPAC1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
SMILESCN1C(=O)CCC(NC(=O)NCC2=CCCCC2)C1=O
InChIInChI=1S/C14H21N3O3/c1-17-12(18)8-7-11(13(17)19)16-14(20)15-9-10-5-3-2-4-6-10/h5,11H,2-4,6-9H2,1H3,(H2,15,16,20)
InChIKeyVECJMWPNYMRRTN-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.93
Rot. Bonds3

About 1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea

1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea (PubChem CID 128907850) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
PubChem CID128907850
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
SMILESCN1C(=O)CCC(NC(=O)NCC2=CCCCC2)C1=O
InChIInChI=1S/C14H21N3O3/c1-17-12(18)8-7-11(13(17)19)16-14(20)15-9-10-5-3-2-4-6-10/h5,11H,2-4,6-9H2,1H3,(H2,15,16,20)
InChIKeyVECJMWPNYMRRTN-UHFFFAOYSA-N
XLogP0.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 128915358
2-methyl-4-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 80540995
N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 95502097
N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide
CID 100542242
2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
(3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 97124896
N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 70713492
N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 70733611
N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide
CID 107529602
3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 106173594
4-[(cyclohexen-1-ylmethylcarbamoylamino)methyl]benzoic acid
CID 122015864
3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione
CID 102733656

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea?
The IUPAC name of 1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea (CID 128907850) is 1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea.
What is the SMILES notation for 1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea?
The canonical SMILES for 1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea is CN1C(=O)CCC(NC(=O)NCC2=CCCCC2)C1=O.
What is the InChIKey of 1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea?
The InChIKey is VECJMWPNYMRRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17-12(18)8-7-11(13(17)19)16-14(20)15-9-10-5-3-2-4-6-10/h5,11H,2-4,6-9H2,1H3,(H2,15,16,20).
What are the key properties of 1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea?
1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea has a molecular weight of 279.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea is sourced from PubChem (CID 128907850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).