N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide

C17H23N3O2 — CID 134073590

IUPACN-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C12CCNCC1C2
InChIInChI=1S/C17H23N3O2/c21-16(17-5-6-18-12-13(17)11-17)19-14-3-1-2-4-15(14)20-7-9-22-10-8-20/h1-4,13,18H,5-12H2,(H,19,21)
InChIKeyPMJYBDHJMPQVQC-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.46
Rot. Bonds3

About N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide

N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide (PubChem CID 134073590) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide
PubChem CID134073590
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C12CCNCC1C2
InChIInChI=1S/C17H23N3O2/c21-16(17-5-6-18-12-13(17)11-17)19-14-3-1-2-4-15(14)20-7-9-22-10-8-20/h1-4,13,18H,5-12H2,(H,19,21)
InChIKeyPMJYBDHJMPQVQC-UHFFFAOYSA-N
XLogP1.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155
N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 43708109
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 1120987
1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981735
N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982441
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 63141494
1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972809
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide (CID 134073590) is N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide is O=C(Nc1ccccc1N1CCOCC1)C12CCNCC1C2.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide?
The InChIKey is PMJYBDHJMPQVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(17-5-6-18-12-13(17)11-17)19-14-3-1-2-4-15(14)20-7-9-22-10-8-20/h1-4,13,18H,5-12H2,(H,19,21).
What are the key properties of N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide?
N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-3-azabicyclo[4.1.0]heptane-6-carboxamide is sourced from PubChem (CID 134073590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).