[3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid

C15H28N2O5 — CID 67098784

IUPAC[3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid
SMILESCOCCC(NC(=O)O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O5/c1-15(2,3)22-14(20)17-8-5-6-11(10-17)12(7-9-21-4)16-13(18)19/h11-12,16H,5-10H2,1-4H3,(H,18,19)
InChIKeyXRGYARXQZJAJDJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.31
Rot. Bonds5

About [3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid

[3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid (PubChem CID 67098784) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is [3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid.

Molecular Properties

Compound Name[3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid
PubChem CID67098784
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name[3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid
SMILESCOCCC(NC(=O)O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O5/c1-15(2,3)22-14(20)17-8-5-6-11(10-17)12(7-9-21-4)16-13(18)19/h11-12,16H,5-10H2,1-4H3,(H,18,19)
InChIKeyXRGYARXQZJAJDJ-UHFFFAOYSA-N
XLogP2.31
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid?
The IUPAC name of [3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid (CID 67098784) is [3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid.
What is the SMILES notation for [3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid?
The canonical SMILES for [3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid is COCCC(NC(=O)O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of [3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid?
The InChIKey is XRGYARXQZJAJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-15(2,3)22-14(20)17-8-5-6-11(10-17)12(7-9-21-4)16-13(18)19/h11-12,16H,5-10H2,1-4H3,(H,18,19).
What are the key properties of [3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid?
[3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid has a molecular weight of 316.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]carbamic acid is sourced from PubChem (CID 67098784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).