(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

C15H26N2O2 — CID 7079828

IUPAC(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C15H26N2O2/c18-15(14-11-12-2-3-13(14)10-12)16-4-1-5-17-6-8-19-9-7-17/h12-14H,1-11H2,(H,16,18)/t12-,13-,14+/m0/s1
InChIKeyKGHKTZJZPDWUCA-MELADBBJSA-N
MW266.38 g/mol
LogP1.26
Rot. Bonds5

About (1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 7079828) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID7079828
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C15H26N2O2/c18-15(14-11-12-2-3-13(14)10-12)16-4-1-5-17-6-8-19-9-7-17/h12-14H,1-11H2,(H,16,18)/t12-,13-,14+/m0/s1
InChIKeyKGHKTZJZPDWUCA-MELADBBJSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate
CID 59204120
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine
CID 79554753
4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 60846570
7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
CID 43209972
N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide
CID 51250747
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
(1S,2S,4S)-N-[3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98221457
2-amino-6-methyl-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 62781177
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 7079828) is (1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCCCN1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KGHKTZJZPDWUCA-MELADBBJSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(14-11-12-2-3-13(14)10-12)16-4-1-5-17-6-8-19-9-7-17/h12-14H,1-11H2,(H,16,18)/t12-,13-,14+/m0/s1.
What are the key properties of (1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 7079828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).