[4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate

C12H16N3O4+ — CID 156733173

IUPAC[4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate
SMILESNC(=O)OC[n+]1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H15N3O4/c13-12(17)19-9-14-3-1-10(2-4-14)11(16)15-5-7-18-8-6-15/h1-4H,5-9H2,(H-,13,17)/p+1
InChIKeyPDUUAAQVPNBIQT-UHFFFAOYSA-O
MW266.28 g/mol
LogP-0.50
Rot. Bonds3

About [4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate

[4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate (PubChem CID 156733173) has the molecular formula C12H16N3O4+ and a molecular weight of 266.28 g/mol. Its IUPAC name is [4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate.

Molecular Properties

Compound Name[4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate
PubChem CID156733173
Molecular FormulaC12H16N3O4+
Molecular Weight266.28 g/mol
Exact Mass266.11
IUPAC Name[4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate
SMILESNC(=O)OC[n+]1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H15N3O4/c13-12(17)19-9-14-3-1-10(2-4-14)11(16)15-5-7-18-8-6-15/h1-4H,5-9H2,(H-,13,17)/p+1
InChIKeyPDUUAAQVPNBIQT-UHFFFAOYSA-O
XLogP-0.50
TPSA85.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine
CID 11971736
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
[4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone
CID 60817303

Frequently Asked Questions

What is the IUPAC name of [4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate?
The IUPAC name of [4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate (CID 156733173) is [4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate.
What is the SMILES notation for [4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate?
The canonical SMILES for [4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate is NC(=O)OC[n+]1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate?
The InChIKey is PDUUAAQVPNBIQT-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15N3O4/c13-12(17)19-9-14-3-1-10(2-4-14)11(16)15-5-7-18-8-6-15/h1-4H,5-9H2,(H-,13,17)/p+1.
What are the key properties of [4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate?
[4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate has a molecular weight of 266.28 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate is sourced from PubChem (CID 156733173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).