6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid

C16H29NO4 — CID 18794107

IUPAC6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCCCCC(=O)O)CC1
InChIInChI=1S/C16H29NO4/c1-16(2,3)21-15(20)17-11-9-13(10-12-17)7-5-4-6-8-14(18)19/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyISZXTXSMUZAXDK-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.67
Rot. Bonds6

About 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid

6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid (PubChem CID 18794107) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid.

Molecular Properties

Compound Name6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid
PubChem CID18794107
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCCCCC(=O)O)CC1
InChIInChI=1S/C16H29NO4/c1-16(2,3)21-15(20)17-11-9-13(10-12-17)7-5-4-6-8-14(18)19/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyISZXTXSMUZAXDK-UHFFFAOYSA-N
XLogP3.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid?
The IUPAC name of 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid (CID 18794107) is 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid.
What is the SMILES notation for 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid?
The canonical SMILES for 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid is CC(C)(C)OC(=O)N1CCC(CCCCCC(=O)O)CC1.
What is the InChIKey of 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid?
The InChIKey is ISZXTXSMUZAXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-16(2,3)21-15(20)17-11-9-13(10-12-17)7-5-4-6-8-14(18)19/h13H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid?
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid has a molecular weight of 299.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]hexanoic acid is sourced from PubChem (CID 18794107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).