(1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H25N2O2+ — CID 11874328

IUPAC(1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C14H24N2O2/c17-14(13-10-11-1-2-12(13)9-11)15-3-4-16-5-7-18-8-6-16/h11-13H,1-10H2,(H,15,17)/p+1/t11-,12+,13+/m1/s1
InChIKeyQAQUNHWXVGVPDJ-AGIUHOORSA-O
MW253.37 g/mol
LogP-0.55
Rot. Bonds4

About (1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 11874328) has the molecular formula C14H25N2O2+ and a molecular weight of 253.37 g/mol. Its IUPAC name is (1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID11874328
Molecular FormulaC14H25N2O2+
Molecular Weight253.37 g/mol
Exact Mass253.19
IUPAC Name(1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C14H24N2O2/c17-14(13-10-11-1-2-12(13)9-11)15-3-4-16-5-7-18-8-6-16/h11-13H,1-10H2,(H,15,17)/p+1/t11-,12+,13+/m1/s1
InChIKeyQAQUNHWXVGVPDJ-AGIUHOORSA-O
XLogP-0.55
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyl-N-(2-morpholin-4-ylethyl)propanamide
CID 1537522
N-[2-(4-morpholinyl)ethyl]cyclohexanecarboxamide
CID 797769
N-(bicyclo[2.2.1]hept-2-ylethyl)-2-morpholin-4-ylacetamide, chloride
CID 2884191
N-(bicyclo[2.2.1]hept-2-ylethyl)-2-morpholin-4-ylacetamide
CID 2884192
2-cyclohexyl-N-[2-(4-morpholinyl)ethyl]acetamide
CID 6472377
N-[3-(morpholin-4-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 2853700
N-[2-(morpholin-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4989658
2-(2-Bicyclo[2.2.1]heptanyl)-1-(3-morpholin-4-ylazetidin-1-yl)ethanone
CID 132319143
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 133817121
N-[2-(2,2,2-trifluoroethoxy)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 133817290
3,3-dimethyl-2-methylene-N-[2-(4-morpholinyl)ethyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 2980160
2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 45840105

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 11874328) is (1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QAQUNHWXVGVPDJ-AGIUHOORSA-O. The full InChI is InChI=1S/C14H24N2O2/c17-14(13-10-11-1-2-12(13)9-11)15-3-4-16-5-7-18-8-6-16/h11-13H,1-10H2,(H,15,17)/p+1/t11-,12+,13+/m1/s1.
What are the key properties of (1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 11874328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).