2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate

C13H24N4O5 — CID 175330323

IUPAC2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)C1CN(C2CCC([N+](=O)[O-])NC2)CCO1
InChIInChI=1S/C13H24N4O5/c1-13(2,22-12(14)18)10-8-16(5-6-21-10)9-3-4-11(15-7-9)17(19)20/h9-11,15H,3-8H2,1-2H3,(H2,14,18)
InChIKeyCVCBBMZREUUYRR-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.08
Rot. Bonds4

About 2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate

2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate (PubChem CID 175330323) has the molecular formula C13H24N4O5 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate.

Molecular Properties

Compound Name2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate
PubChem CID175330323
Molecular FormulaC13H24N4O5
Molecular Weight316.36 g/mol
Exact Mass316.17
IUPAC Name2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)C1CN(C2CCC([N+](=O)[O-])NC2)CCO1
InChIInChI=1S/C13H24N4O5/c1-13(2,22-12(14)18)10-8-16(5-6-21-10)9-3-4-11(15-7-9)17(19)20/h9-11,15H,3-8H2,1-2H3,(H2,14,18)
InChIKeyCVCBBMZREUUYRR-UHFFFAOYSA-N
XLogP-0.08
TPSA119.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate?
The IUPAC name of 2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate (CID 175330323) is 2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate.
What is the SMILES notation for 2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate?
The canonical SMILES for 2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate is CC(C)(OC(N)=O)C1CN(C2CCC([N+](=O)[O-])NC2)CCO1.
What is the InChIKey of 2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate?
The InChIKey is CVCBBMZREUUYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O5/c1-13(2,22-12(14)18)10-8-16(5-6-21-10)9-3-4-11(15-7-9)17(19)20/h9-11,15H,3-8H2,1-2H3,(H2,14,18).
What are the key properties of 2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate?
2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate has a molecular weight of 316.36 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]propan-2-yl carbamate is sourced from PubChem (CID 175330323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).