N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide

C27H31N3O2 — CID 131691818

IUPACN-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
SMILESCn1c(C(=O)N2CCC3(CCC3NC(=O)CCc3ccccc3)CC2)cc2ccccc21
InChIInChI=1S/C27H31N3O2/c1-29-22-10-6-5-9-21(22)19-23(29)26(32)30-17-15-27(16-18-30)14-13-24(27)28-25(31)12-11-20-7-3-2-4-8-20/h2-10,19,24H,11-18H2,1H3,(H,28,31)
InChIKeyVIYSRFPJTXCLIO-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.31
Rot. Bonds5

About N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide

N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide (PubChem CID 131691818) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
PubChem CID131691818
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
SMILESCn1c(C(=O)N2CCC3(CCC3NC(=O)CCc3ccccc3)CC2)cc2ccccc21
InChIInChI=1S/C27H31N3O2/c1-29-22-10-6-5-9-21(22)19-23(29)26(32)30-17-15-27(16-18-30)14-13-24(27)28-25(31)12-11-20-7-3-2-4-8-20/h2-10,19,24H,11-18H2,1H3,(H,28,31)
InChIKeyVIYSRFPJTXCLIO-UHFFFAOYSA-N
XLogP4.31
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691820
N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691829
3-phenyl-N-[7-(4-prop-2-enoxybenzoyl)-7-azaspiro[3.5]nonan-3-yl]propanamide
CID 155878936
(1-methylindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380576
3-methyl-1-(1-methylindole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256327
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 164547017
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone
CID 55881568
3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
CID 122276174
6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45171340

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide (CID 131691818) is N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide is Cn1c(C(=O)N2CCC3(CCC3NC(=O)CCc3ccccc3)CC2)cc2ccccc21.
What is the InChIKey of N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide?
The InChIKey is VIYSRFPJTXCLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-29-22-10-6-5-9-21(22)19-23(29)26(32)30-17-15-27(16-18-30)14-13-24(27)28-25(31)12-11-20-7-3-2-4-8-20/h2-10,19,24H,11-18H2,1H3,(H,28,31).
What are the key properties of N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide?
N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide has a molecular weight of 429.56 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 131691818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).