pentyl 1-prop-2-enoylpiperidine-4-carboxylate

C14H23NO3 — CID 91732476

IUPACpentyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OCCCCC)CC1
InChIInChI=1S/C14H23NO3/c1-3-5-6-11-18-14(17)12-7-9-15(10-8-12)13(16)4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyAPZRMPGIRJVQCA-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds6

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

pentyl 1-prop-2-enoylpiperidine-4-carboxylate (PubChem CID 91732476) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is pentyl 1-prop-2-enoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namepentyl 1-prop-2-enoylpiperidine-4-carboxylate
PubChem CID91732476
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namepentyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OCCCCC)CC1
InChIInChI=1S/C14H23NO3/c1-3-5-6-11-18-14(17)12-7-9-15(10-8-12)13(16)4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyAPZRMPGIRJVQCA-UHFFFAOYSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.14
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 pentyl 1-prop-2-enoylpiperidine-4-carboxylate?
The IUPAC name of pentyl 1-prop-2-enoylpiperidine-4-carboxylate (CID 91732476) is pentyl 1-prop-2-enoylpiperidine-4-carboxylate.
What is the SMILES notation for pentyl 1-prop-2-enoylpiperidine-4-carboxylate?
The canonical SMILES for pentyl 1-prop-2-enoylpiperidine-4-carboxylate is C=CC(=O)N1CCC(C(=O)OCCCCC)CC1.
What is the InChIKey of pentyl 1-prop-2-enoylpiperidine-4-carboxylate?
The InChIKey is APZRMPGIRJVQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-5-6-11-18-14(17)12-7-9-15(10-8-12)13(16)4-2/h4,12H,2-3,5-11H2,1H3.
What are the key properties of pentyl 1-prop-2-enoylpiperidine-4-carboxylate?
pentyl 1-prop-2-enoylpiperidine-4-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 1-prop-2-enoylpiperidine-4-carboxylate is sourced from PubChem (CID 91732476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).