hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate

C16H27NO3 — CID 78877614

IUPAChexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
SMILESCCCCCCOC(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H27NO3/c1-2-3-4-5-12-20-16(19)14-8-10-17(11-9-14)15(18)13-6-7-13/h13-14H,2-12H2,1H3
InChIKeyBHEWYUIJTUAQLG-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds7

About hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate

hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate (PubChem CID 78877614) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namehexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
PubChem CID78877614
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Namehexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
SMILESCCCCCCOC(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H27NO3/c1-2-3-4-5-12-20-16(19)14-8-10-17(11-9-14)15(18)13-6-7-13/h13-14H,2-12H2,1H3
InChIKeyBHEWYUIJTUAQLG-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze hexyl 1-(cyclopropanecarbonyl)piperidine-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-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
hexyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 78877062
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742588
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
nonyl 1-prop-2-enoylpiperidine-4-carboxylate
CID 91738806
butyl 1-acetylpiperidine-4-carboxylate
CID 112724765
butyl 1-octanoylpiperidine-4-carboxylate
CID 91728400
4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
CID 91734422
heptyl 1-(3-chloropropanoyl)piperidine-4-carboxylate
CID 91740781
1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742586

Frequently Asked Questions

What is the IUPAC name of hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate (CID 78877614) is hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate is CCCCCCOC(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The InChIKey is BHEWYUIJTUAQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-3-4-5-12-20-16(19)14-8-10-17(11-9-14)15(18)13-6-7-13/h13-14H,2-12H2,1H3.
What are the key properties of hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 78877614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).