3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione

C19H29N3O4 — CID 123584046

IUPAC3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
SMILESCCCc1c(CC2(N)CCCCC2)c(O)n(C2CCC(=O)NC2=O)c1O
InChIInChI=1S/C19H29N3O4/c1-2-6-12-13(11-19(20)9-4-3-5-10-19)18(26)22(17(12)25)14-7-8-15(23)21-16(14)24/h14,25-26H,2-11,20H2,1H3,(H,21,23,24)
InChIKeyWYVOMGWEWZDUES-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.03
Rot. Bonds5

About 3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione

3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione (PubChem CID 123584046) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
PubChem CID123584046
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
SMILESCCCc1c(CC2(N)CCCCC2)c(O)n(C2CCC(=O)NC2=O)c1O
InChIInChI=1S/C19H29N3O4/c1-2-6-12-13(11-19(20)9-4-3-5-10-19)18(26)22(17(12)25)14-7-8-15(23)21-16(14)24/h14,25-26H,2-11,20H2,1H3,(H,21,23,24)
InChIKeyWYVOMGWEWZDUES-UHFFFAOYSA-N
XLogP2.03
TPSA117.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione 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 3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione (CID 123584046) is 3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione is CCCc1c(CC2(N)CCCCC2)c(O)n(C2CCC(=O)NC2=O)c1O.
What is the InChIKey of 3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is WYVOMGWEWZDUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-2-6-12-13(11-19(20)9-4-3-5-10-19)18(26)22(17(12)25)14-7-8-15(23)21-16(14)24/h14,25-26H,2-11,20H2,1H3,(H,21,23,24).
What are the key properties of 3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione?
3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 363.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 123584046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).