nonyl 1-prop-2-enoylpiperidine-4-carboxylate

C18H31NO3 — CID 91738806

IUPACnonyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OCCCCCCCCC)CC1
InChIInChI=1S/C18H31NO3/c1-3-5-6-7-8-9-10-15-22-18(21)16-11-13-19(14-12-16)17(20)4-2/h4,16H,2-3,5-15H2,1H3
InChIKeyYAMVWKFEAYGPQH-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.70
Rot. Bonds10

About nonyl 1-prop-2-enoylpiperidine-4-carboxylate

nonyl 1-prop-2-enoylpiperidine-4-carboxylate (PubChem CID 91738806) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is nonyl 1-prop-2-enoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namenonyl 1-prop-2-enoylpiperidine-4-carboxylate
PubChem CID91738806
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Namenonyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OCCCCCCCCC)CC1
InChIInChI=1S/C18H31NO3/c1-3-5-6-7-8-9-10-15-22-18(21)16-11-13-19(14-12-16)17(20)4-2/h4,16H,2-3,5-15H2,1H3
InChIKeyYAMVWKFEAYGPQH-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze nonyl 1-prop-2-enoylpiperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
CID 91734422
1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742586
hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78877614
hexyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 78877062
1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742588
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
pentadecyl cyclopropanecarboxylate
CID 560133
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
butyl 1-acetylpiperidine-4-carboxylate
CID 112724765
butyl 1-octanoylpiperidine-4-carboxylate
CID 91728400
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
heptyl 1-(3-chloropropanoyl)piperidine-4-carboxylate
CID 91740781

Frequently Asked Questions

What is the IUPAC name of nonyl 1-prop-2-enoylpiperidine-4-carboxylate?
The IUPAC name of nonyl 1-prop-2-enoylpiperidine-4-carboxylate (CID 91738806) is nonyl 1-prop-2-enoylpiperidine-4-carboxylate.
What is the SMILES notation for nonyl 1-prop-2-enoylpiperidine-4-carboxylate?
The canonical SMILES for nonyl 1-prop-2-enoylpiperidine-4-carboxylate is C=CC(=O)N1CCC(C(=O)OCCCCCCCCC)CC1.
What is the InChIKey of nonyl 1-prop-2-enoylpiperidine-4-carboxylate?
The InChIKey is YAMVWKFEAYGPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-3-5-6-7-8-9-10-15-22-18(21)16-11-13-19(14-12-16)17(20)4-2/h4,16H,2-3,5-15H2,1H3.
What are the key properties of nonyl 1-prop-2-enoylpiperidine-4-carboxylate?
nonyl 1-prop-2-enoylpiperidine-4-carboxylate has a molecular weight of 309.45 g/mol, XLogP of 3.70, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 1-prop-2-enoylpiperidine-4-carboxylate is sourced from PubChem (CID 91738806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).