4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide

C28H35N3O2 — CID 175898759

IUPAC4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
SMILESNC(=O)c1ccc(N2CCC3(CC2)CC(N2CCOC[C@H]2c2ccccc2C2CC2)C3)cc1
InChIInChI=1S/C28H35N3O2/c29-27(32)21-7-9-22(10-8-21)30-13-11-28(12-14-30)17-23(18-28)31-15-16-33-19-26(31)25-4-2-1-3-24(25)20-5-6-20/h1-4,7-10,20,23,26H,5-6,11-19H2,(H2,29,32)/t26-/m0/s1
InChIKeyINVBIHSDKMZHCB-SANMLTNESA-N
MW445.61 g/mol
LogP4.49
Rot. Bonds5

About 4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide

4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide (PubChem CID 175898759) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide.

Molecular Properties

Compound Name4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
PubChem CID175898759
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
SMILESNC(=O)c1ccc(N2CCC3(CC2)CC(N2CCOC[C@H]2c2ccccc2C2CC2)C3)cc1
InChIInChI=1S/C28H35N3O2/c29-27(32)21-7-9-22(10-8-21)30-13-11-28(12-14-30)17-23(18-28)31-15-16-33-19-26(31)25-4-2-1-3-24(25)20-5-6-20/h1-4,7-10,20,23,26H,5-6,11-19H2,(H2,29,32)/t26-/m0/s1
InChIKeyINVBIHSDKMZHCB-SANMLTNESA-N
XLogP4.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzoate
CID 175822007
4-[2-[(2S)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
CID 155600832
4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
CID 166492066
4-[6,6,8,8-tetradeuterio-2-[(2S)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
CID 175787499
4-[2-[(2R)-2-(2-methylphenyl)-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
CID 175908256
4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide
CID 155600900
4-[2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
CID 175897025
2-[[(3R)-5-nitro-3-(oxan-4-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]sulfonyl]-4-[2-[(2S)-2-(2-prop-1-en-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
CID 156538752
4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide
CID 175897090
4-[2-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-N-[[5-nitro-3-(oxan-4-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
CID 154963867
methyl 2-bromo-4-[(3R)-3-methyl-2-[(3R)-3-(2-propan-2-ylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzoate
CID 168954425
4-[2-[(2R)-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-N-[[(2S)-8-nitro-2-(oxan-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
CID 168760300

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide?
The IUPAC name of 4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide (CID 175898759) is 4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide.
What is the SMILES notation for 4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide?
The canonical SMILES for 4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide is NC(=O)c1ccc(N2CCC3(CC2)CC(N2CCOC[C@H]2c2ccccc2C2CC2)C3)cc1.
What is the InChIKey of 4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide?
The InChIKey is INVBIHSDKMZHCB-SANMLTNESA-N. The full InChI is InChI=1S/C28H35N3O2/c29-27(32)21-7-9-22(10-8-21)30-13-11-28(12-14-30)17-23(18-28)31-15-16-33-19-26(31)25-4-2-1-3-24(25)20-5-6-20/h1-4,7-10,20,23,26H,5-6,11-19H2,(H2,29,32)/t26-/m0/s1.
What are the key properties of 4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide?
4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide has a molecular weight of 445.61 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R)-3-(2-cyclopropylphenyl)morpholin-4-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide is sourced from PubChem (CID 175898759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).