pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate

C15H25NO3 — CID 91695326

IUPACpentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate
SMILESC=C(C)C(=O)N1CCC(C(=O)OCCCCC)CC1
InChIInChI=1S/C15H25NO3/c1-4-5-6-11-19-15(18)13-7-9-16(10-8-13)14(17)12(2)3/h13H,2,4-11H2,1,3H3
InChIKeyJABDRUIBWIPSIQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds6

About pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate

pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate (PubChem CID 91695326) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namepentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate
PubChem CID91695326
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namepentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate
SMILESC=C(C)C(=O)N1CCC(C(=O)OCCCCC)CC1
InChIInChI=1S/C15H25NO3/c1-4-5-6-11-19-15(18)13-7-9-16(10-8-13)14(17)12(2)3/h13H,2,4-11H2,1,3H3
InChIKeyJABDRUIBWIPSIQ-UHFFFAOYSA-N
XLogP2.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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 pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate?
The IUPAC name of pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate (CID 91695326) is pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate.
What is the SMILES notation for pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate?
The canonical SMILES for pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate is C=C(C)C(=O)N1CCC(C(=O)OCCCCC)CC1.
What is the InChIKey of pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate?
The InChIKey is JABDRUIBWIPSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-5-6-11-19-15(18)13-7-9-16(10-8-13)14(17)12(2)3/h13H,2,4-11H2,1,3H3.
What are the key properties of pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate?
pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 1-(2-methylprop-2-enoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91695326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).