1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea

C14H23N3O4 — CID 128915358

IUPAC1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
SMILESCN1C(=O)CCC(NC(=O)NC[C@H]2CCCC[C@@H]2O)C1=O
InChIInChI=1S/C14H23N3O4/c1-17-12(19)7-6-10(13(17)20)16-14(21)15-8-9-4-2-3-5-11(9)18/h9-11,18H,2-8H2,1H3,(H2,15,16,21)/t9-,10?,11+/m1/s1
InChIKeyBCKOUPQNNGVNDL-FBKFWFMHSA-N
MW297.36 g/mol
LogP-0.02
Rot. Bonds3

About 1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea

1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea (PubChem CID 128915358) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
PubChem CID128915358
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
SMILESCN1C(=O)CCC(NC(=O)NC[C@H]2CCCC[C@@H]2O)C1=O
InChIInChI=1S/C14H23N3O4/c1-17-12(19)7-6-10(13(17)20)16-14(21)15-8-9-4-2-3-5-11(9)18/h9-11,18H,2-8H2,1H3,(H2,15,16,21)/t9-,10?,11+/m1/s1
InChIKeyBCKOUPQNNGVNDL-FBKFWFMHSA-N
XLogP-0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea?
The IUPAC name of 1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea (CID 128915358) is 1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea.
What is the SMILES notation for 1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea?
The canonical SMILES for 1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea is CN1C(=O)CCC(NC(=O)NC[C@H]2CCCC[C@@H]2O)C1=O.
What is the InChIKey of 1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea?
The InChIKey is BCKOUPQNNGVNDL-FBKFWFMHSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-17-12(19)7-6-10(13(17)20)16-14(21)15-8-9-4-2-3-5-11(9)18/h9-11,18H,2-8H2,1H3,(H2,15,16,21)/t9-,10?,11+/m1/s1.
What are the key properties of 1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea?
1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea has a molecular weight of 297.36 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea is sourced from PubChem (CID 128915358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).