hexyl 1-prop-2-enoylpiperidine-4-carboxylate

C15H25NO3 — CID 91734410

IUPAChexyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OCCCCCC)CC1
InChIInChI=1S/C15H25NO3/c1-3-5-6-7-12-19-15(18)13-8-10-16(11-9-13)14(17)4-2/h4,13H,2-3,5-12H2,1H3
InChIKeyINUJGEIHANRHCR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds7

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

hexyl 1-prop-2-enoylpiperidine-4-carboxylate (PubChem CID 91734410) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is hexyl 1-prop-2-enoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namehexyl 1-prop-2-enoylpiperidine-4-carboxylate
PubChem CID91734410
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namehexyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OCCCCCC)CC1
InChIInChI=1S/C15H25NO3/c1-3-5-6-7-12-19-15(18)13-8-10-16(11-9-13)14(17)4-2/h4,13H,2-3,5-12H2,1H3
InChIKeyINUJGEIHANRHCR-UHFFFAOYSA-N
XLogP2.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
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'}

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Frequently Asked Questions

What is the IUPAC name of hexyl 1-prop-2-enoylpiperidine-4-carboxylate?
The IUPAC name of hexyl 1-prop-2-enoylpiperidine-4-carboxylate (CID 91734410) is hexyl 1-prop-2-enoylpiperidine-4-carboxylate.
What is the SMILES notation for hexyl 1-prop-2-enoylpiperidine-4-carboxylate?
The canonical SMILES for hexyl 1-prop-2-enoylpiperidine-4-carboxylate is C=CC(=O)N1CCC(C(=O)OCCCCCC)CC1.
What is the InChIKey of hexyl 1-prop-2-enoylpiperidine-4-carboxylate?
The InChIKey is INUJGEIHANRHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-5-6-7-12-19-15(18)13-8-10-16(11-9-13)14(17)4-2/h4,13H,2-3,5-12H2,1H3.
What are the key properties of hexyl 1-prop-2-enoylpiperidine-4-carboxylate?
hexyl 1-prop-2-enoylpiperidine-4-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 1-prop-2-enoylpiperidine-4-carboxylate is sourced from PubChem (CID 91734410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).