[1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone

C14H21N5O4 — CID 18095407

IUPAC[1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCn1cnc([N+](=O)[O-])c1N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H21N5O4/c1-16-10-15-12(19(21)22)13(16)17-4-2-11(3-5-17)14(20)18-6-8-23-9-7-18/h10-11H,2-9H2,1H3
InChIKeyGGOOPWKKLCXUSC-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.40
Rot. Bonds3

About [1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 18095407) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID18095407
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name[1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCn1cnc([N+](=O)[O-])c1N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H21N5O4/c1-16-10-15-12(19(21)22)13(16)17-4-2-11(3-5-17)14(20)18-6-8-23-9-7-18/h10-11H,2-9H2,1H3
InChIKeyGGOOPWKKLCXUSC-UHFFFAOYSA-N
XLogP0.40
TPSA93.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.40
H-Bond Donors ≤ 50
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 [1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 18095407) is [1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone is Cn1cnc([N+](=O)[O-])c1N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is GGOOPWKKLCXUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4/c1-16-10-15-12(19(21)22)13(16)17-4-2-11(3-5-17)14(20)18-6-8-23-9-7-18/h10-11H,2-9H2,1H3.
What are the key properties of [1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 323.35 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 18095407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).