propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate

C14H25NO3 — CID 91725535

IUPACpropyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
SMILESCCCOC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-4-9-18-14(17)12-5-7-15(8-6-12)13(16)10-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyNNZSAHPBZZGYLE-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.22
Rot. Bonds5

About propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate

propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate (PubChem CID 91725535) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
PubChem CID91725535
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namepropyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
SMILESCCCOC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-4-9-18-14(17)12-5-7-15(8-6-12)13(16)10-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyNNZSAHPBZZGYLE-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
The IUPAC name of propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate (CID 91725535) is propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
The canonical SMILES for propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate is CCCOC(=O)C1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
The InChIKey is NNZSAHPBZZGYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-9-18-14(17)12-5-7-15(8-6-12)13(16)10-11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(3-methylbutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91725535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).