4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid

C16H25N3O4 — CID 69403480

IUPAC4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid
SMILESCC1(NC(=O)N2C3CC4CC2CC(C3)O4)CCN(C(=O)O)CC1
InChIInChI=1S/C16H25N3O4/c1-16(2-4-18(5-3-16)15(21)22)17-14(20)19-10-6-12-8-11(19)9-13(7-10)23-12/h10-13H,2-9H2,1H3,(H,17,20)(H,21,22)
InChIKeyAHEZVMNDOHALIF-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.62
Rot. Bonds1

About 4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid

4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid (PubChem CID 69403480) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid
PubChem CID69403480
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid
SMILESCC1(NC(=O)N2C3CC4CC2CC(C3)O4)CCN(C(=O)O)CC1
InChIInChI=1S/C16H25N3O4/c1-16(2-4-18(5-3-16)15(21)22)17-14(20)19-10-6-12-8-11(19)9-13(7-10)23-12/h10-13H,2-9H2,1H3,(H,17,20)(H,21,22)
InChIKeyAHEZVMNDOHALIF-UHFFFAOYSA-N
XLogP1.62
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid?
The IUPAC name of 4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid (CID 69403480) is 4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid is CC1(NC(=O)N2C3CC4CC2CC(C3)O4)CCN(C(=O)O)CC1.
What is the InChIKey of 4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid?
The InChIKey is AHEZVMNDOHALIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-16(2-4-18(5-3-16)15(21)22)17-14(20)19-10-6-12-8-11(19)9-13(7-10)23-12/h10-13H,2-9H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid?
4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-oxa-6-azatricyclo[3.3.1.13,7]decane-6-carbonylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 69403480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).